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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

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
  • Download
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