[4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: 3-(3,4-dimethoxyphenyl)-2-propenoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3,4-dimethoxyphenyl)acrylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C21H21BrO5 MolecularWeight: 433.29244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCCCC(=O)C2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OCCCC(=O)C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C21H21BrO5/c1-25-19-11-5-15(14-20(19)26-2)6-12-21(24)27-13-3-4-18(23)16-7-9-17(22)10-8-16/h5-12,14H,3-4,13H2,1-2H3