(2,3,6-trimethylphenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-14-4-5-15(2)20(16(14)3)26-21(25)18-8-10-24(11-9-18)19-7-6-17(12-22)13-23-19/h4-7,13,18H,8-11H2,1-3H3