3-(4-fluorophenyl)-1-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperidine-4-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-1-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperidine-4-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-1-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 3-(4-fluorophenyl)-1-[[1-(6-methoxy-3-pyridinyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-1-[1-(6-methoxypyridin-3-yl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-1-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]isonipecotic acid Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C=CC(=N2)C(=O)N3CCC(C(C3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC(=N2)C(=O)N3CCC(C(C3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H21FN4O4/c1-31-20-7-6-16(12-24-20)27-11-9-19(25-27)21(28)26-10-8-17(22(29)30)18(13-26)14-2-4-15(23)5-3-14/h2-7,9,11-12,17-18H,8,10,13H2,1H3,(H,29,30)