[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C=CC2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C20H20BrNO5/c1-25-17-9-5-15(11-18(17)26-2)12-22-19(23)13-27-20(24)10-6-14-3-7-16(21)8-4-14/h3-11H,12-13H2,1-2H3,(H,22,23)/b10-6+