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

Systemtic Name: tert-butyl 3-[2-acetamido-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-acetamido-6-(2-benzyloxyphenyl)-3-cyano-4-pyridyl]piperidine-1-carboxylate CAS Name: 3-[2-acetamido-3-cyano-6-(2-phenylmethoxyphenyl)-4-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-acetamido-3-cyano-6-(2-phenylmethoxyphenyl)pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[2-acetamido-6-(2-benzoxyphenyl)-3-cyano-4-pyridyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=N1)C2=CC=CC=C2OCC3=CC=CC=C3)C4CCCN(C4)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=N1)C2=CC=CC=C2OCC3=CC=CC=C3)C4CCCN(C4)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C31H34N4O4/c1-21(36)33-29-26(18-32)25(23-13-10-16-35(19-23)30(37)39-31(2,3)4)17-27(34-29)24-14-8-9-15-28(24)38-20-22-11-6-5-7-12-22/h5-9,11-12,14-15,17,23H,10,13,16,19-20H2,1-4H3,(H,33,34,36)