1-[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxylate IUPAC Name: 1-[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]isonipecotate Formula: C17H18N3O4- MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-24-13-4-2-11(3-5-13)14-10-15(21)19-17(18-14)20-8-6-12(7-9-20)16(22)23/h2-5,10,12H,6-9H2,1H3,(H,22,23)(H,18,19,21)/p-1