5-(4-fluorophenyl)-1-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperidine-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-1-[1-(6-methoxypyridin-3-yl)pyrazol-3-yl]carbonyl-piperidine-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-1-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-1-[[1-(6-methoxy-3-pyridinyl)-3-pyrazolyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-1-[1-(6-methoxypyridin-3-yl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-1-[1-(6-methoxy-3-pyridyl)pyrazole-3-carbonyl]pipecolinic 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)N3CC(CCC3C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC(=N2)C(=O)N3CC(CCC3C(=O)O)C4=CC=C(C=C4)F

InChI

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