[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H26N4O4/c1-25(14-16-5-3-2-4-6-16)20(27)15-30-22(29)17-9-11-26(12-10-17)19-8-7-18(13-24-19)21(23)28/h2-8,13,17H,9-12,14-15H2,1H3,(H2,23,28)