tert-butyl 4-cyano-4-[3-(phenylmethoxycarbonylaminomethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-cyano-4-[3-(phenylmethoxycarbonylaminomethyl)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(benzyloxycarbonylaminomethyl)phenyl]-4-cyano-piperidine-1-carboxylate CAS Name: 4-cyano-4-[3-(phenylmethoxycarbonylaminomethyl)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-[3-(phenylmethoxycarbonylaminomethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[3-(benzyloxycarbonylaminomethyl)phenyl]-4-cyano-piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC(=CC=C2)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC(=CC=C2)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4/c1-25(2,3)33-24(31)29-14-12-26(19-27,13-15-29)22-11-7-10-21(16-22)17-28-23(30)32-18-20-8-5-4-6-9-20/h4-11,16H,12-15,17-18H2,1-3H3,(H,28,30)