(4-bromanyl-2,6-dimethyl-phenyl) (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C23H27BrO4 MolecularWeight: 447.36208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2C)Br)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2C)Br)C)OCC

InChI

InChI=1S/C23H27BrO4/c1-5-7-12-27-20-10-8-18(15-21(20)26-6-2)9-11-22(25)28-23-16(3)13-19(24)14-17(23)4/h8-11,13-15H,5-7,12H2,1-4H3/b11-9+