tert-butyl 3-[3-cyano-6-(2-phenylmethoxyphenyl)-2-[(phenylmethyl)amino]pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-cyano-6-(2-phenylmethoxyphenyl)-2-[(phenylmethyl)amino]pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-(benzylamino)-6-(2-benzyloxyphenyl)-3-cyano-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[3-cyano-6-(2-phenylmethoxyphenyl)-2-[(phenylmethyl)amino]-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(benzylamino)-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[6-(2-benzoxyphenyl)-2-(benzylamino)-3-cyano-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C36H38N4O3 MolecularWeight: 574.71192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C#N)NCC3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC(=C2C#N)NCC3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C36H38N4O3/c1-36(2,3)43-35(41)40-20-12-17-28(24-40)30-21-32(39-34(31(30)22-37)38-23-26-13-6-4-7-14-26)29-18-10-11-19-33(29)42-25-27-15-8-5-9-16-27/h4-11,13-16,18-19,21,28H,12,17,20,23-25H2,1-3H3,(H,38,39)