1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]ethanone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H24ClNO2
Molecular Weight	441.949
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]ethanone

Structure Search

SMILES

CC(=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=NZSTWJFMJOWIJY-CWBDRXANSA-N

InChI=1S/C28H24ClNO2/c1-19(31)26-8-3-2-6-21(26)12-16-28(32)23-7-4-5-20(17-23)9-14-25-15-11-22-10-13-24(29)18-27(22)30-25/h2-11,13-15,17-18,28,32H,12,16H2,1H3/b14-9+/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H24ClNO2
Molecular Weight	441.949
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 20:07:04 GMT 2023` Edited by `admin` on `Sat Dec 16 20:07:04 GMT 2023`
Record UNII	2W3L4Y54XU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]ethanone

Systematic Name

English

Ethanone, 1-[2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]-, (S)-

Systematic Name

English

Montelukast 3S hydroxy methyl ketone

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

2W3L4Y54XU

Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023

PRIMARY

PUBCHEM

10646833

Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023

PRIMARY

CAS

184764-13-4

Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023

PRIMARY

CAS

144551-23-5

Created by admin on Sat Dec 16 20:07:04 GMT 2023 , Edited by admin on Sat Dec 16 20:07:04 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY