methyl 3-[2-(4-bromanyl-1-methyl-indol-3-yl)propan-2-yl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 3-[2-(4-bromanyl-1-methyl-indol-3-yl)propan-2-yl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 3-[1-(4-bromo-1-methyl-indol-3-yl)-1-methyl-ethyl]-2-oxo-cyclohexanecarboxylate CAS Name: 3-[2-(4-bromo-1-methyl-3-indolyl)propan-2-yl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-bromo-1-methylindol-3-yl)propan-2-yl]-2-oxocyclohexane-1-carboxylate Traditional Name: 3-[1-(4-bromo-1-methyl-indol-3-yl)-1-methyl-ethyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCC(C1=O)C(=O)OC)C2=CN(C3=C2C(=CC=C3)Br)C

Isomeric SMILES

CC(C)(C1CCCC(C1=O)C(=O)OC)C2=CN(C3=C2C(=CC=C3)Br)C

InChI

InChI=1S/C20H24BrNO3/c1-20(2,13-8-5-7-12(18(13)23)19(24)25-4)14-11-22(3)16-10-6-9-15(21)17(14)16/h6,9-13H,5,7-8H2,1-4H3