Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H24ClNO3
Molecular Weight	457.948
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Structure Search

SMILES

COC(=O)C1=C(CC[C@H](O)C2=CC=CC(\C=C\C3=NC4=C(C=CC(Cl)=C4)C=C3)=C2)C=CC=C1

InChI

InChIKey=KPCSDMZEMDMWKQ-SPNSGGJLSA-N

InChI=1S/C28H24ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18,27,31H,12,16H2,1H3/b14-9+/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H24ClNO3
Molecular Weight	457.948
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:07:08 GMT 2023` Edited by `admin` on `Sat Dec 16 20:07:08 GMT 2023`
Record UNII	YN9U8A52AN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Systematic Name

English

Benzoic acid, 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, methyl ester

Systematic Name

English

Methyl (S),(E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Systematic Name

English

Methyl 2-[(3S)-3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Systematic Name

English

Benzoic acid, 2-[(3S)-3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, methyl ester

Systematic Name

English

(S,E)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

Systematic Name

English

(S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

Systematic Name

English

Code System Code Type Description

CAS

142569-69-5

Created by admin on Sat Dec 16 20:07:08 GMT 2023 , Edited by admin on Sat Dec 16 20:07:08 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

181139-72-0

Created by admin on Sat Dec 16 20:07:08 GMT 2023 , Edited by admin on Sat Dec 16 20:07:08 GMT 2023

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PUBCHEM

54006303

Created by admin on Sat Dec 16 20:07:08 GMT 2023 , Edited by admin on Sat Dec 16 20:07:08 GMT 2023

PRIMARY

FDA UNII

YN9U8A52AN

Created by admin on Sat Dec 16 20:07:08 GMT 2023 , Edited by admin on Sat Dec 16 20:07:08 GMT 2023

PRIMARY