6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 6-butyl-1-[4-(2-carboxyphenyl)benzyl]-2-keto-nicotinic acid Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C24H23NO5/c1-2-3-6-18-13-14-21(24(29)30)22(26)25(18)15-16-9-11-17(12-10-16)19-7-4-5-8-20(19)23(27)28/h4-5,7-14H,2-3,6,15H2,1H3,(H,27,28)(H,29,30)