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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

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
  • Download
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
PRIMARY
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