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

Systemtic Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-4-methyl-6-phenyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Formula: C32H34N2O4 MolecularWeight: 510.62336

Click to see the large picture

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C32H34N2O4/c1-4-6-16-28-33-30(25-12-8-7-9-13-25)29(32(37)38-5-2)22(3)34(28)21-23-17-19-24(20-18-23)26-14-10-11-15-27(26)31(35)36/h7-15,17-20,22H,4-6,16,21H2,1-3H3,(H,35,36)