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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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