[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O4/c1-16(22(28)26-14-17-3-6-20(30-2)7-4-17)31-23(29)19-9-11-27(12-10-19)21-8-5-18(13-24)15-25-21/h3-8,15-16,19H,9-12,14H2,1-2H3,(H,26,28)