[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-(diphenylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-(diphenylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-(diphenylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: 6-[oxo-(N-phenylanilino)methyl]-1-cyclohex-3-enecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-(diphenylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: 6-(diphenylcarbamoyl)cyclohex-3-ene-1-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C28H24BrNO4 MolecularWeight: 518.39846

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C=CCC(C1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H24BrNO4/c29-21-17-15-20(16-18-21)26(31)19-34-28(33)25-14-8-7-13-24(25)27(32)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-12,15-18,24-25H,13-14,19H2