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

Systemtic Name: 2-[4-[(2-butyl-4-methyl-pyridin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-methyl-3-pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-methylpyridin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid Formula: C24H25NO2 MolecularWeight: 359.4608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO2/c1-3-4-9-23-22(17(2)14-15-25-23)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)24(26)27/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,26,27)