5-[(2-butyl-4-ethoxycarbonyl-6-oxidanylidene-pyridin-1-yl)methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(2-butyl-4-ethoxycarbonyl-6-oxidanylidene-pyridin-1-yl)methyl]-2-phenyl-benzoic acid Openeye Name: 5-[(2-butyl-4-ethoxycarbonyl-6-oxo-1-pyridyl)methyl]-2-phenyl-benzoic acid CAS Name: 5-[(2-butyl-4-ethoxycarbonyl-6-oxo-1-pyridinyl)methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(2-butyl-4-ethoxycarbonyl-6-oxopyridin-1-yl)methyl]-2-phenylbenzoic acid Traditional Name: 5-[(2-butyl-4-carbethoxy-6-keto-1-pyridyl)methyl]-2-phenyl-benzoic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5/c1-3-5-11-21-15-20(26(31)32-4-2)16-24(28)27(21)17-18-12-13-22(23(14-18)25(29)30)19-9-7-6-8-10-19/h6-10,12-16H,3-5,11,17H2,1-2H3,(H,29,30)