Methyl 2-[(3R)-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-[(3R)-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-WKMZLRSWSA-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-/m1/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 20:07:03 GMT 2023` Edited by `admin` on `Sat Dec 16 20:07:03 GMT 2023`
Record UNII	2S99NX2CCM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

(R)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoic acid methyl ester

Systematic Name

English

2-[3-(R)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]benzoic Acid Methyl Ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

11733191

Created by admin on Sat Dec 16 20:07:03 GMT 2023 , Edited by admin on Sat Dec 16 20:07:03 GMT 2023

PRIMARY

FDA UNII

2S99NX2CCM

Created by admin on Sat Dec 16 20:07:03 GMT 2023 , Edited by admin on Sat Dec 16 20:07:03 GMT 2023

PRIMARY

CAS

142542-47-0

Created by admin on Sat Dec 16 20:07:03 GMT 2023 , Edited by admin on Sat Dec 16 20:07:03 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

150026-72-5

Created by admin on Sat Dec 16 20:07:03 GMT 2023 , Edited by admin on Sat Dec 16 20:07:03 GMT 2023

PRIMARY