ethyl 3-bromanyl-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 3-bromanyl-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxidanylidene-butanoate Openeye Name: ethyl 3-bromo-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxo-butanoate CAS Name: 3-bromo-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-4-oxobutanoate Traditional Name: 3-bromo-4-[3-(2,6-dimethylbenzyl)oxyphenyl]-4-keto-butyric acid ethyl ester Formula: C21H23BrO4 MolecularWeight: 419.30892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)C1=CC(=CC=C1)OCC2=C(C=CC=C2C)C)Br

Isomeric SMILES

CCOC(=O)CC(C(=O)C1=CC(=CC=C1)OCC2=C(C=CC=C2C)C)Br

InChI

InChI=1S/C21H23BrO4/c1-4-25-20(23)12-19(22)21(24)16-9-6-10-17(11-16)26-13-18-14(2)7-5-8-15(18)3/h5-11,19H,4,12-13H2,1-3H3