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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCC1=CC(=O)C(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

InChI

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