4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[(phenylmethyl)carbamoyl]phenyl]butanoic acid

Systemtic Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-[(phenylmethyl)carbamoyl]phenyl]butanoic acid Openeye Name: 4-[4-(benzylcarbamoyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-[oxo-[(phenylmethyl)amino]methyl]phenyl]butanoic acid IUPAC Name: 4-[4-(benzylcarbamoyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(benzylcarbamoyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C31H30N2O4/c1-21(26-15-7-12-23-11-5-6-14-27(23)26)30(36)33-28-19-25(18-17-24(28)13-8-16-29(34)35)31(37)32-20-22-9-3-2-4-10-22/h2-7,9-12,14-15,17-19,21H,8,13,16,20H2,1H3,(H,32,37)(H,33,36)(H,34,35)