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

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2/c1-13-2-4-16(20)17(10-13)25-19(24)15-6-8-23(9-7-15)18-5-3-14(11-21)12-22-18/h2-5,10,12,15H,6-9H2,1H3