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Details

Stereochemistry MIXED
Molecular Formula C18H21NO3
Molecular Weight 299.3642
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-((1-HYDROXY-3-PHENYLBUTYL)AMINO)BENZOATE

SMILES

COC(=O)C1=CC=CC=C1NC(O)CC(C)C2=CC=CC=C2

InChI

InChIKey=AEARHBYNCLPVFQ-UHFFFAOYSA-N
InChI=1S/C18H21NO3/c1-13(14-8-4-3-5-9-14)12-17(20)19-16-11-7-6-10-15(16)18(21)22-2/h3-11,13,17,19-20H,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H21NO3
Molecular Weight 299.3642
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:05:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:05:15 GMT 2025
Record UNII
ORC6IV30FS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 2-((1-HYDROXY-3-PHENYLBUTYL)AMINO), METHYL ESTER
Preferred Name English
METHYL 2-((1-HYDROXY-3-PHENYLBUTYL)AMINO)BENZOATE
Systematic Name English
BENZOIC ACID, 2-((1-HYDROXY-3-PHENYLBUTYL)AMINO)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
19815003
Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025
PRIMARY
CAS
144761-91-1
Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID7051343
Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025
PRIMARY
FDA UNII
ORC6IV30FS
Created by admin on Mon Mar 31 22:05:15 GMT 2025 , Edited by admin on Mon Mar 31 22:05:15 GMT 2025
PRIMARY