(4-acetamidophenyl) 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (4-acetamidophenyl) 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (4-acetamidophenyl) 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (4-acetamidophenyl) ester Formula: C21H20F2N2O4 MolecularWeight: 402.391306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H20F2N2O4/c1-13(26)24-16-3-5-17(6-4-16)29-21(28)14-8-10-25(11-9-14)20(27)18-7-2-15(22)12-19(18)23/h2-7,12,14H,8-11H2,1H3,(H,24,26)