ethyl 1-[1-ethyl-4-methyl-2,6-bis(oxidanylidene)-3-phenyl-pyrimidin-5-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-ethyl-4-methyl-2,6-bis(oxidanylidene)-3-phenyl-pyrimidin-5-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-ethyl-4-methyl-2,6-dioxo-3-phenyl-pyrimidin-5-yl)piperidine-4-carboxylate CAS Name: 1-(1-ethyl-4-methyl-2,6-dioxo-3-phenyl-5-pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxylate Traditional Name: 1-(1-ethyl-2,6-diketo-4-methyl-3-phenyl-pyrimidin-5-yl)isonipecotic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)C2=CC=CC=C2)C)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)C2=CC=CC=C2)C)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H27N3O4/c1-4-23-19(25)18(22-13-11-16(12-14-22)20(26)28-5-2)15(3)24(21(23)27)17-9-7-6-8-10-17/h6-10,16H,4-5,11-14H2,1-3H3