2-[4-[[2-butyl-4-(hydroxymethyl)pyridin-3-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-4-(hydroxymethyl)pyridin-3-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-3-pyridyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-3-pyridinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-(hydroxymethyl)pyridin-3-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-methylol-3-pyridyl)methyl]phenyl]benzoic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CCCCC1=NC=CC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO

InChI

InChI=1S/C24H25NO3/c1-2-3-8-23-22(19(16-26)13-14-25-23)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)24(27)28/h4-7,9-14,26H,2-3,8,15-16H2,1H3,(H,27,28)