[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N)F

InChI

InChI=1S/C22H25FN4O4/c1-14-2-3-15(10-18(14)23)11-26-20(28)13-31-22(30)16-6-8-27(9-7-16)19-5-4-17(12-25-19)21(24)29/h2-5,10,12,16H,6-9,11,13H2,1H3,(H2,24,29)(H,26,28)