(phenylmethyl) 4-(2-oxidanylidene-1,6-dihydropyrimidin-3-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-oxidanylidene-1,6-dihydropyrimidin-3-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(2-oxo-1,6-dihydropyrimidin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-1,6-dihydropyrimidin-3-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-oxo-1,6-dihydropyrimidin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-1,6-dihydropyrimidin-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CCNC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1N2C=CCNC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c21-16-18-9-4-10-20(16)15-7-11-19(12-8-15)17(22)23-13-14-5-2-1-3-6-14/h1-6,10,15H,7-9,11-13H2,(H,18,21)