ethyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 3-[(2-bromo-5-methoxy-phenyl)methyl]-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 3-(2-bromo-5-methoxy-benzyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)C(=C1C)CC2=C(C=CC(=C2)OC)Br

Isomeric SMILES

CCOC(=O)C1CCC(=O)C(=C1C)CC2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C18H21BrO4/c1-4-23-18(21)14-6-8-17(20)15(11(14)2)10-12-9-13(22-3)5-7-16(12)19/h5,7,9,14H,4,6,8,10H2,1-3H3