[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)COC2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)COC2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C20H22BrNO6/c1-25-17-7-6-14(10-18(17)26-2)8-9-22-19(23)12-28-20(24)13-27-16-5-3-4-15(21)11-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,23)