2-[4-[[4-butyl-6-(hydroxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-butyl-6-(hydroxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-butyl-6-(hydroxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-butyl-6-(hydroxymethyl)-2-methyl-5-pyrimidinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-butyl-6-(hydroxymethyl)-2-methylpyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-butyl-2-methyl-6-methylol-pyrimidin-5-yl)methyl]phenyl]benzoic acid Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H26N2O3/c1-3-4-9-22-21(23(15-27)26-16(2)25-22)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24(28)29/h5-8,10-13,27H,3-4,9,14-15H2,1-2H3,(H,28,29)