[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H26BrNO8 MolecularWeight: 512.34774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC)OC

InChI

InChI=1S/C22H26BrNO8/c1-27-15-7-6-13(10-16(15)28-2)8-9-24-18(25)12-32-22(26)14-11-17(29-3)20(30-4)21(31-5)19(14)23/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,25)