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

Systemtic Name: tert-butyl 3-[3-cyano-6-(2-phenylmethoxyphenyl)-2-(propylamino)pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[6-(2-benzyloxyphenyl)-3-cyano-2-(propylamino)-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[3-cyano-6-(2-phenylmethoxyphenyl)-2-(propylamino)-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-cyano-6-(2-phenylmethoxyphenyl)-2-(propylamino)pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[6-(2-benzoxyphenyl)-3-cyano-2-(propylamino)-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H38N4O3 MolecularWeight: 526.66912

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=CC(=N1)C2=CC=CC=C2OCC3=CC=CC=C3)C4CCCN(C4)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCCNC1=C(C(=CC(=N1)C2=CC=CC=C2OCC3=CC=CC=C3)C4CCCN(C4)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C32H38N4O3/c1-5-17-34-30-27(20-33)26(24-14-11-18-36(21-24)31(37)39-32(2,3)4)19-28(35-30)25-15-9-10-16-29(25)38-22-23-12-7-6-8-13-23/h6-10,12-13,15-16,19,24H,5,11,14,17-18,21-22H2,1-4H3,(H,34,35)