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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20N2O3
Molecular Weight 336.3844
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Y-20811 FREE ACID, (S)-

SMILES

CC1=CC(=CC(C)=C1[C@@H](O)C2=C(C)C=CC(=C2)N3C=CN=C3)C(O)=O

InChI

InChIKey=QSAHHFJAWATNBG-IBGZPJMESA-N
InChI=1S/C20H20N2O3/c1-12-4-5-16(22-7-6-21-11-22)10-17(12)19(23)18-13(2)8-15(20(24)25)9-14(18)3/h4-11,19,23H,1-3H3,(H,24,25)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20N2O3
Molecular Weight 336.3844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:58:13 GMT 2023
Edited
by admin
on Sat Dec 16 09:58:13 GMT 2023
Record UNII
40MCT6540A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Y-20811 FREE ACID, (S)-
Common Name English
BENZOIC ACID, 4-((S)-HYDROXY(5-(1H-IMIDAZOL-1-YL)-2-METHYLPHENYL)METHYL)-3,5-DIMETHYL-
Systematic Name English
BENZOIC ACID, 4-((S)-HYDROXY(5-(1H-IMIDAZOL-1-YL)-2-METHYLPHENYL)METHYL)-3,5-DIMETHYL-, (-)-
Common Name English
Code System Code Type Description
FDA UNII
40MCT6540A
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
CAS
122331-77-5
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
PUBCHEM
11056808
Created by admin on Sat Dec 16 09:58:13 GMT 2023 , Edited by admin on Sat Dec 16 09:58:13 GMT 2023
PRIMARY
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