[2-oxidanylidene-2-(phenethylamino)ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NCCC2=CC=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NCCC2=CC=CC=C2)Br)OC

InChI

InChI=1S/C20H22BrNO5/c1-25-17-10-15(16(21)12-18(17)26-2)11-20(24)27-13-19(23)22-9-8-14-6-4-3-5-7-14/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,22,23)