(2-chloranyl-5-methyl-phenyl) 1-pyrimidin-2-ylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-pyrimidin-2-ylpiperidine-4-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-pyrimidin-2-ylpiperidine-4-carboxylate CAS Name: 1-(2-pyrimidinyl)-4-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-pyrimidin-2-ylpiperidine-4-carboxylate Traditional Name: 1-(2-pyrimidyl)isonipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H18ClN3O2/c1-12-3-4-14(18)15(11-12)23-16(22)13-5-9-21(10-6-13)17-19-7-2-8-20-17/h2-4,7-8,11,13H,5-6,9-10H2,1H3