methyl 1-[3-(2-chlorophenyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(2-chlorophenyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate CAS Name: 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(2-chlorophenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(2-chlorophenyl)-2,4-diketo-1H-pyrimidin-6-yl]isonipecotic acid methyl ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H18ClN3O4/c1-25-16(23)11-6-8-20(9-7-11)14-10-15(22)21(17(24)19-14)13-5-3-2-4-12(13)18/h2-5,10-11H,6-9H2,1H3,(H,19,24)