2-[4-[(2-butyl-5-methoxy-4-methyl-pyridin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-methoxy-4-methyl-pyridin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-methoxy-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-methoxy-4-methyl-3-pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-methoxy-4-methylpyridin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-methoxy-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c1-4-5-10-23-22(17(2)24(29-3)16-26-23)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25(27)28/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,27,28)