methyl (1R,2S)-2-[2-(2-bromanyl-4-methoxy-phenyl)ethyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[2-(2-bromanyl-4-methoxy-phenyl)ethyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[2-(2-bromo-4-methoxy-phenyl)ethyl]-1-methyl-3-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-2-[2-(2-bromo-4-methoxyphenyl)ethyl]-1-methyl-3-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[2-(2-bromo-4-methoxyphenyl)ethyl]-1-methyl-3-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(2-bromo-4-methoxy-phenyl)ethyl]-3-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C18H23BrO4 MolecularWeight: 383.27682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CCC2=C(C=C(C=C2)OC)Br)C(=O)OC

Isomeric SMILES

C[C@]1(CCCC(=O)[C@H]1CCC2=C(C=C(C=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C18H23BrO4/c1-18(17(21)23-3)10-4-5-16(20)14(18)9-7-12-6-8-13(22-2)11-15(12)19/h6,8,11,14H,4-5,7,9-10H2,1-3H3/t14-,18-/m1/s1