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

Systemtic Name: 2-[4-[(4-methyl-2-pentyl-pyridin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-methyl-2-pentyl-3-pyridyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-methyl-2-pentyl-3-pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-methyl-2-pentylpyridin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=CC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCCC1=NC=CC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C25H27NO2/c1-3-4-5-10-24-23(18(2)15-16-26-24)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)25(27)28/h6-9,11-16H,3-5,10,17H2,1-2H3,(H,27,28)