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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6/c1-2-3-11-20-13-14-22(25(32)28-16-15-23(30)31)26(33)29(20)17-19-10-7-12-21(24(19)27(34)35)18-8-5-4-6-9-18/h4-10,12-14H,2-3,11,15-17H2,1H3,(H,28,32)(H,30,31)(H,34,35)