cyclohexylmethyl 6-ethyl-2-oxidanylidene-4-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclohexylmethyl 6-ethyl-2-oxidanylidene-4-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclohexylmethyl 4-benzyl-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-ethyl-2-oxo-4-(phenylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-benzyl-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-benzyl-6-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)CC2=CC=CC=C2)C(=O)OCC3CCCCC3

Isomeric SMILES

CCC1=C(C(NC(=O)N1)CC2=CC=CC=C2)C(=O)OCC3CCCCC3

InChI

InChI=1S/C21H28N2O3/c1-2-17-19(20(24)26-14-16-11-7-4-8-12-16)18(23-21(25)22-17)13-15-9-5-3-6-10-15/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3,(H2,22,23,25)