2-bromoethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 2-bromoethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: 2-bromoethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid 2-bromoethyl ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)OCCBr)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)OCCBr)OC

InChI

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