methyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 2-[(2-bromo-5-methoxy-phenyl)methyl]-1-methyl-3-oxo-cyclohexanecarboxylate CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-3-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-3-oxocyclohexane-1-carboxylate Traditional Name: 2-(2-bromo-5-methoxy-benzyl)-3-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C17H21BrO4 MolecularWeight: 369.25024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC2=C(C=CC(=C2)OC)Br)C(=O)OC

Isomeric SMILES

CC1(CCCC(=O)C1CC2=C(C=CC(=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C17H21BrO4/c1-17(16(20)22-3)8-4-5-15(19)13(17)10-11-9-12(21-2)6-7-14(11)18/h6-7,9,13H,4-5,8,10H2,1-3H3