(phenylmethyl) 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-chlorophenyl)-6-(2-cyclohexylethoxymethyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C33H35ClN2O3 MolecularWeight: 543.0956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCOCC2=C(C(N=C(N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H35ClN2O3/c34-28-18-10-17-27(21-28)31-30(33(37)39-22-25-13-6-2-7-14-25)29(23-38-20-19-24-11-4-1-5-12-24)35-32(36-31)26-15-8-3-9-16-26/h2-3,6-10,13-18,21,24,31H,1,4-5,11-12,19-20,22-23H2,(H,35,36)