4-[[4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-2-keto-4-methyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C33H28N2O5 MolecularWeight: 532.58582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H28N2O5/c1-22-29(32(38)40-21-24-8-4-2-5-9-24)30(27-18-16-26(17-19-27)25-10-6-3-7-11-25)34-33(39)35(22)20-23-12-14-28(15-13-23)31(36)37/h2-19,30H,20-21H2,1H3,(H,34,39)(H,36,37)