2-[4-[[2-butyl-6-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-4H-pyrimidin-3-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-4H-pyrimidin-3-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-4H-pyrimidin-3-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-4H-pyrimidin-3-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-(4-chlorophenyl)-5-ethoxycarbonyl-4-methyl-4H-pyrimidin-3-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carbethoxy-6-(4-chlorophenyl)-4-methyl-4H-pyrimidin-3-yl]methyl]phenyl]benzoic acid Formula: C32H33ClN2O4 MolecularWeight: 545.06842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)C(=O)OCC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)C(=O)OCC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C32H33ClN2O4/c1-4-6-11-28-34-30(24-16-18-25(33)19-17-24)29(32(38)39-5-2)21(3)35(28)20-22-12-14-23(15-13-22)26-9-7-8-10-27(26)31(36)37/h7-10,12-19,21H,4-6,11,20H2,1-3H3,(H,36,37)