ethyl 6-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[4-[2-(p-tolyl)ethyl]-1-piperidyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-[2-(p-tolyl)ethyl]piperidino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCC(CC2)CCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCC(CC2)CCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H31N3O3/c1-3-28-21(26)19-14-23-22(27)24-20(19)15-25-12-10-18(11-13-25)9-8-17-6-4-16(2)5-7-17/h4-7,18H,3,8-15H2,1-2H3,(H2,23,24,27)