[2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=C(C=C2)F)C(=O)N)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=C(C=C2)F)C(=O)N)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H21FN4O4/c21-15-4-1-12(2-5-15)17(19(23)27)29-20(28)13-7-9-25(10-8-13)16-6-3-14(11-24-16)18(22)26/h1-6,11,13,17H,7-10H2,(H2,22,26)(H2,23,27)