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

Systemtic Name: methyl (1R,2R)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylene-cyclohexanecarboxylate CAS Name: (1R,2R)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylene-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylidenecyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylene-cyclohexanecarboxylic acid methyl ester Formula: C18H23BrO2 MolecularWeight: 351.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrO2/c1-13-7-6-12-18(2,17(20)21-3)15(13)11-10-14-8-4-5-9-16(14)19/h4-5,8-9,15H,1,6-7,10-12H2,2-3H3/t15-,18-/m1/s1