2-[[6-butyl-2-oxidanylidene-3-[(phenylmethyl)carbamoyl]pyridin-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[6-butyl-2-oxidanylidene-3-[(phenylmethyl)carbamoyl]pyridin-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[3-(benzylcarbamoyl)-6-butyl-2-oxo-1-pyridyl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[6-butyl-2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-pyridinyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-(benzylcarbamoyl)-6-butyl-2-oxopyridin-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[3-(benzylcarbamoyl)-6-butyl-2-keto-1-pyridyl]methyl]-6-phenyl-benzoic acid Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H30N2O4/c1-2-3-16-25-18-19-27(29(34)32-20-22-11-6-4-7-12-22)30(35)33(25)21-24-15-10-17-26(28(24)31(36)37)23-13-8-5-9-14-23/h4-15,17-19H,2-3,16,20-21H2,1H3,(H,32,34)(H,36,37)