U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21NO4
Molecular Weight 327.3743
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBANILIC ACID, 4-(3-(METHOXYCARBONYL)PROPYL)-, BENZYL ESTER

SMILES

COC(=O)CCCC1=CC=C(NC(=O)OCC2=CC=CC=C2)C=C1

InChI

InChIKey=RNHLZVAKVRCBJV-UHFFFAOYSA-N
InChI=1S/C19H21NO4/c1-23-18(21)9-5-8-15-10-12-17(13-11-15)20-19(22)24-14-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,20,22)

HIDE SMILES / InChI

Molecular Formula C19H21NO4
Molecular Weight 327.3743
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:45:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:16 GMT 2023
Record UNII
RMA3KU4KWO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBANILIC ACID, 4-(3-(METHOXYCARBONYL)PROPYL)-, BENZYL ESTER
Systematic Name English
CARBANILIC ACID, P-(3-CARBOXYPROPYL)-, N-BENZYL METHYL ESTER
Systematic Name English
NSC-85210
Code English
BENZENEBUTANOIC ACID, 4-(((PHENYLMETHOXY)CARBONYL)AMINO)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
RMA3KU4KWO
Created by admin on Sat Dec 16 12:45:16 GMT 2023 , Edited by admin on Sat Dec 16 12:45:16 GMT 2023
PRIMARY
NSC
85210
Created by admin on Sat Dec 16 12:45:16 GMT 2023 , Edited by admin on Sat Dec 16 12:45:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID40195303
Created by admin on Sat Dec 16 12:45:16 GMT 2023 , Edited by admin on Sat Dec 16 12:45:16 GMT 2023
PRIMARY
PUBCHEM
20247
Created by admin on Sat Dec 16 12:45:16 GMT 2023 , Edited by admin on Sat Dec 16 12:45:16 GMT 2023
PRIMARY
CAS
4252-28-2
Created by admin on Sat Dec 16 12:45:16 GMT 2023 , Edited by admin on Sat Dec 16 12:45:16 GMT 2023
PRIMARY