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

Systemtic Name: 2-[[6-butyl-3-[carboxymethyl(methyl)carbamoyl]-2-oxidanylidene-pyridin-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[6-butyl-3-[carboxymethyl(methyl)carbamoyl]-2-oxo-1-pyridyl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[6-butyl-3-[[carboxymethyl(methyl)amino]-oxomethyl]-2-oxo-1-pyridinyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[6-butyl-3-[carboxymethyl(methyl)carbamoyl]-2-oxopyridin-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[6-butyl-3-[carboxymethyl(methyl)carbamoyl]-2-keto-1-pyridyl]methyl]-6-phenyl-benzoic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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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)N(C)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)N(C)CC(=O)O

InChI

InChI=1S/C27H28N2O6/c1-3-4-12-20-14-15-22(25(32)28(2)17-23(30)31)26(33)29(20)16-19-11-8-13-21(24(19)27(34)35)18-9-6-5-7-10-18/h5-11,13-15H,3-4,12,16-17H2,1-2H3,(H,30,31)(H,34,35)