3-[(2-butyl-6-oxidanyl-4-oxidanylidene-pyridin-1-yl)methyl]-2-naphthalen-1-yl-benzoic acid

Systemtic Name: 3-[(2-butyl-6-oxidanyl-4-oxidanylidene-pyridin-1-yl)methyl]-2-naphthalen-1-yl-benzoic acid Openeye Name: 3-[(2-butyl-6-hydroxy-4-oxo-1-pyridyl)methyl]-2-(1-naphthyl)benzoic acid CAS Name: 3-[(2-butyl-6-hydroxy-4-oxo-1-pyridinyl)methyl]-2-(1-naphthalenyl)benzoic acid IUPAC Name: 3-[(2-butyl-6-hydroxy-4-oxopyridin-1-yl)methyl]-2-naphthalen-1-ylbenzoic acid Traditional Name: 3-[(2-butyl-6-hydroxy-4-keto-1-pyridyl)methyl]-2-(1-naphthyl)benzoic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C=C(N1CC2=CC=CC(=C2C3=CC=CC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

CCCCC1=CC(=O)C=C(N1CC2=CC=CC(=C2C3=CC=CC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C27H25NO4/c1-2-3-11-20-15-21(29)16-25(30)28(20)17-19-10-7-14-24(27(31)32)26(19)23-13-6-9-18-8-4-5-12-22(18)23/h4-10,12-16,30H,2-3,11,17H2,1H3,(H,31,32)