ethyl 1-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)piperidine-4-carboxylate CAS Name: 1-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(4-keto-6-phenyl-1H-pyrimidin-2-yl)isonipecotic acid ethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3/c1-2-24-17(23)14-8-10-21(11-9-14)18-19-15(12-16(22)20-18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,22)