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

Systemtic Name: methyl (4S)-4-(2-chlorophenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-chlorophenyl)-2-oxo-6-(1-piperidylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-2-oxo-6-(1-piperidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-chlorophenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-(piperidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)CN3CCCCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2Cl)CN3CCCCC3

InChI

InChI=1S/C18H22ClN3O3/c1-25-17(23)15-14(11-22-9-5-2-6-10-22)20-18(24)21-16(15)12-7-3-4-8-13(12)19/h3-4,7-8,16H,2,5-6,9-11H2,1H3,(H2,20,21,24)/t16-/m1/s1