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

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-propenoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO3/c1-4-5-12-24-19-9-6-17(7-10-19)8-11-20(23)25-21-15(2)13-18(22)14-16(21)3/h6-11,13-14H,4-5,12H2,1-3H3/b11-8+