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Details

Stereochemistry ACHIRAL
Molecular Formula C27H28N2O3
Molecular Weight 428.5228
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-Oxo-2-[[phenyl[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]benzoic acid

SMILES

OC(=O)C1=CC=C(CC(=O)NC(C2=CC=CC=C2)C3=C(C=CC=C3)N4CCCCC4)C=C1

InChI

InChIKey=KLYSDWDGUUKBSX-UHFFFAOYSA-N
InChI=1S/C27H28N2O3/c30-25(19-20-13-15-22(16-14-20)27(31)32)28-26(21-9-3-1-4-10-21)23-11-5-6-12-24(23)29-17-7-2-8-18-29/h1,3-6,9-16,26H,2,7-8,17-19H2,(H,28,30)(H,31,32)

HIDE SMILES / InChI

Molecular Formula C27H28N2O3
Molecular Weight 428.5228
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:06:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:06:18 GMT 2025
Record UNII
TQJ8FU8WAX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZ-DF 265
Preferred Name English
4-[2-Oxo-2-[[phenyl[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]benzoic acid
Systematic Name English
Benzoic acid, 4-[2-oxo-2-[[phenyl[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
134370
Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025
PRIMARY
CAS
83901-40-0
Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID001004047
Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025
PRIMARY
FDA UNII
TQJ8FU8WAX
Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025
PRIMARY