Methyl (E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22ClNO3
Molecular Weight	455.932
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Methyl (E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

Structure Search

SMILES

COC(=O)C1=C(CCC(=O)C2=CC=CC(\C=C\C3=NC4=C(C=CC(Cl)=C4)C=C3)=C2)C=CC=C1

InChI

InChIKey=INXATVZSQVIIHJ-NTEUORMPSA-N

InChI=1S/C28H22ClNO3/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/h2-11,13-15,17-18H,12,16H2,1H3/b14-9+

HIDE SMILES / InChI

Molecular Formula	C28H22ClNO3
Molecular Weight	455.932
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:11:51 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:51 GMT 2023`
Record UNII	9JT8VVP54H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl (E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic Acid Methyl Ester

Systematic Name

English

Montelukast 3-oxo benzoate

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

(E)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-oxopropyl)benzoate

Systematic Name

English

Code System Code Type Description

FDA UNII

9JT8VVP54H

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

PRIMARY

PUBCHEM

11730154

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

PRIMARY

CAS

133791-17-0

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

149968-11-6

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

PRIMARY