(2-chloranyl-6-fluoranyl-phenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H21ClFNO3 MolecularWeight: 389.847743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFNO3/c1-14-5-2-3-6-16(14)20(25)24-11-9-15(10-12-24)21(26)27-13-17-18(22)7-4-8-19(17)23/h2-8,15H,9-13H2,1H3