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

Systemtic Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-5-pyrimidinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methylpyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-4-5-10-23-22(24(16-30-3)27-17(2)26-23)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)25(28)29/h6-9,11-14H,4-5,10,15-16H2,1-3H3,(H,28,29)