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

Systemtic Name: ethyl 4-bromanyl-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]butanoate Openeye Name: ethyl 4-bromo-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]butanoate CAS Name: 4-bromo-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-bromo-4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]butanoate Traditional Name: 4-bromo-4-[3-(2,6-dimethylbenzyl)oxyphenyl]butyric acid ethyl ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrO3/c1-4-24-21(23)12-11-20(22)17-9-6-10-18(13-17)25-14-19-15(2)7-5-8-16(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3