cyclooctyl 4-(4-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclooctyl 4-(4-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C20H25ClN2O3 MolecularWeight: 376.8771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OC3CCCCCCC3

InChI

InChI=1S/C20H25ClN2O3/c1-13-17(19(24)26-16-7-5-3-2-4-6-8-16)18(23-20(25)22-13)14-9-11-15(21)12-10-14/h9-12,16,18H,2-8H2,1H3,(H2,22,23,25)