1-[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]isonipecotic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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