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

Systemtic Name: 2-[4-[(2-butyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-hydroxy-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-hydroxy-4-methyl-3-pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-hydroxy-4-methylpyridin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-hydroxy-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3/c1-3-4-9-22-21(16(2)23(26)15-25-22)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24(27)28/h5-8,10-13,15,26H,3-4,9,14H2,1-2H3,(H,27,28)