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

Systemtic Name: 3-[(2-butyl-6-oxidanylidene-pyridin-1-yl)methyl]-2-naphthalen-1-yl-benzoic acid Openeye Name: 3-[(2-butyl-6-oxo-1-pyridyl)methyl]-2-(1-naphthyl)benzoic acid CAS Name: 3-[(2-butyl-6-oxo-1-pyridinyl)methyl]-2-(1-naphthalenyl)benzoic acid IUPAC Name: 3-[(2-butyl-6-oxopyridin-1-yl)methyl]-2-naphthalen-1-ylbenzoic acid Traditional Name: 3-[(2-butyl-6-keto-1-pyridyl)methyl]-2-(1-naphthyl)benzoic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO3/c1-2-3-12-21-13-8-17-25(29)28(21)18-20-11-7-16-24(27(30)31)26(20)23-15-6-10-19-9-4-5-14-22(19)23/h4-11,13-17H,2-3,12,18H2,1H3,(H,30,31)