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N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine

Go to external page http://purl.obolibrary.org/obo/CHEBI_71526

A benzenedicarboxamide in which one nitrogen forms the beta-nitogen of beta-alanine and the other is the N of 2,3,3a,4,7,7a-hexahydro-1H-isoindole.

Term info

Label

N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine

Synonyms
  • N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine [ IUPAC ]

charge

0

formula

C19H22N2O4

has obo namespace

chebi_ontology

has related synonym

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid

id

CHEBI:71526

inchi

InChI=1S/C19H22N2O4/c22-17(23)9-10-20-18(24)13-5-7-14(8-6-13)19(25)21-11-15-3-1-2-4-16(15)12-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,24)(H,22,23)

inchikey

ZNHOXFODVISWMP-UHFFFAOYSA-N

mass

342.38900

monoisotopicmass

342.15796

smiles

OC(=O)CCNC(=O)c1ccc(cc1)C(=O)N1CC2CC=CCC2C1