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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC1=CC(=C(C=C1)OC)OC)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NCCC1=CC(=C(C=C1)OC)OC)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO6/c1-14(29-17-7-5-16(22)6-8-17)21(25)28-13-20(24)23-11-10-15-4-9-18(26-2)19(12-15)27-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24)