(3-cyanophenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (3-cyanobenzyl) ester Formula: C21H18F2N2O3 MolecularWeight: 384.376026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)C(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)C(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H18F2N2O3/c22-17-4-5-18(19(23)11-17)20(26)25-8-6-16(7-9-25)21(27)28-13-15-3-1-2-14(10-15)12-24/h1-5,10-11,16H,6-9,13H2