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

Systemtic Name: 2-[[6-butyl-3-(carboxymethylcarbamoyl)-2-oxidanylidene-pyridin-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[6-butyl-3-(carboxymethylcarbamoyl)-2-oxo-1-pyridyl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[6-butyl-3-[(carboxymethylamino)-oxomethyl]-2-oxo-1-pyridinyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[6-butyl-3-(carboxymethylcarbamoyl)-2-oxopyridin-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[6-butyl-3-(carboxymethylcarbamoyl)-2-keto-1-pyridyl]methyl]-6-phenyl-benzoic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6/c1-2-3-11-19-13-14-21(24(31)27-15-22(29)30)25(32)28(19)16-18-10-7-12-20(23(18)26(33)34)17-8-5-4-6-9-17/h4-10,12-14H,2-3,11,15-16H2,1H3,(H,27,31)(H,29,30)(H,33,34)