(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H26N4O3/c25-15-19-5-8-22(26-16-19)27-13-9-21(10-14-27)24(30)31-17-18-3-6-20(7-4-18)23(29)28-11-1-2-12-28/h3-8,16,21H,1-2,9-14,17H2