4-[4-[methyl(phenylcarbonyl)amino]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[methyl(phenylcarbonyl)amino]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[benzoyl(methyl)amino]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[benzoyl(methyl)amino]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[benzoyl(methyl)amino]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[benzoyl(methyl)amino]-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)N(C)C(=O)C4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O4/c1-21(26-16-8-13-22-10-6-7-15-27(22)26)30(36)32-28-20-25(19-18-23(28)14-9-17-29(34)35)33(2)31(37)24-11-4-3-5-12-24/h3-8,10-13,15-16,18-21H,9,14,17H2,1-2H3,(H,32,36)(H,34,35)