[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H21BrFNO5 MolecularWeight: 478.308243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C22H21BrFNO5/c1-29-20-7-4-16(12-18(20)23)19(26)13-30-22(28)15-8-10-25(11-9-15)21(27)14-2-5-17(24)6-3-14/h2-7,12,15H,8-11,13H2,1H3