(4-tert-butyl-2-methyl-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2/c1-16-13-19(23(2,3)4)6-7-20(16)28-22(27)18-9-11-26(12-10-18)21-8-5-17(14-24)15-25-21/h5-8,13,15,18H,9-12H2,1-4H3