methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxo-ethyl]cycloheptanecarboxylate CAS Name: (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]cycloheptane-1-carboxylate Traditional Name: (1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cycloheptanecarboxylic acid methyl ester Formula: C17H21BrO3 MolecularWeight: 353.25084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCCC1CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H]1CCCCC[C@@H]1CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrO3/c1-21-17(20)15-6-4-2-3-5-13(15)11-16(19)12-7-9-14(18)10-8-12/h7-10,13,15H,2-6,11H2,1H3/t13-,15+/m1/s1