[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3CCCCC3

InChI

InChI=1S/C21H24BrNO3/c1-14-12-19(15(2)23(14)18-10-8-17(22)9-11-18)20(24)13-26-21(25)16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3