methyl 1-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-2-methyl-5-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 1-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-2-methyl-5-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl 1-[2-(2-bromo-5-methoxy-phenyl)ethyl]-2-methyl-5-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methyl-5-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methyl-5-oxocyclohex-2-ene-1-carboxylate Traditional Name: 1-[2-(2-bromo-5-methoxy-phenyl)ethyl]-5-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=O)CC1(CCC2=C(C=CC(=C2)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CCC(=O)CC1(CCC2=C(C=CC(=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C18H21BrO4/c1-12-4-5-14(20)11-18(12,17(21)23-3)9-8-13-10-15(22-2)6-7-16(13)19/h4,6-7,10H,5,8-9,11H2,1-3H3