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

Systemtic Name: 2-[4-[(2-butyl-6-methoxy-4-oxidanylidene-pyridin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-methoxy-4-oxo-1-pyridyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-methoxy-4-oxo-1-pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-methoxy-4-oxopyridin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-keto-6-methoxy-1-pyridyl)methyl]phenyl]benzoic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO4/c1-3-4-7-19-14-20(26)15-23(29-2)25(19)16-17-10-12-18(13-11-17)21-8-5-6-9-22(21)24(27)28/h5-6,8-15H,3-4,7,16H2,1-2H3,(H,27,28)