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

Systemtic Name: (4-aminocarbonylphenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (4-carbamoylbenzyl) ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C(=O)N)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C(=O)N)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O3/c21-11-15-3-6-18(23-12-15)24-9-7-17(8-10-24)20(26)27-13-14-1-4-16(5-2-14)19(22)25/h1-6,12,17H,7-10,13H2,(H2,22,25)