[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22BrFN2O4 MolecularWeight: 477.323483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22BrFN2O4/c1-14(20(27)25-19-10-6-17(23)7-11-19)30-22(29)16-3-2-12-26(13-16)21(28)15-4-8-18(24)9-5-15/h4-11,14,16H,2-3,12-13H2,1H3,(H,25,27)