[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H26BrNO4/c1-3-17-4-6-18(7-5-17)22(27)16(2)30-24(29)20-12-14-26(15-13-20)23(28)19-8-10-21(25)11-9-19/h4-11,16,20H,3,12-15H2,1-2H3