methyl (1R,2S)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(2-bromophenyl)ethyl]-3-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C17H21BrO3 MolecularWeight: 353.25084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CCC2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

C[C@]1(CCCC(=O)[C@H]1CCC2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C17H21BrO3/c1-17(16(20)21-2)11-5-8-15(19)13(17)10-9-12-6-3-4-7-14(12)18/h3-4,6-7,13H,5,8-11H2,1-2H3/t13-,17-/m1/s1