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

Systemtic Name: 4-[[6-(2,4-dichlorophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-6-(2,4-dichlorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-6-(2,4-dichlorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C27H22Cl2N2O5 MolecularWeight: 525.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)Cl)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H22Cl2N2O5/c1-16-23(26(34)36-15-18-5-3-2-4-6-18)24(21-12-11-20(28)13-22(21)29)30-27(35)31(16)14-17-7-9-19(10-8-17)25(32)33/h2-13,24H,14-15H2,1H3,(H,30,35)(H,32,33)