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

Systemtic Name: 2-[[6-butyl-3-(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridyl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[6-butyl-3-(hydroxymethyl)-2-oxopyridin-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(6-butyl-2-keto-3-methylol-1-pyridyl)methyl]-6-phenyl-benzoic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CO

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CO

InChI

InChI=1S/C24H25NO4/c1-2-3-11-20-14-13-19(16-26)23(27)25(20)15-18-10-7-12-21(22(18)24(28)29)17-8-5-4-6-9-17/h4-10,12-14,26H,2-3,11,15-16H2,1H3,(H,28,29)