[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H24ClNO7 MolecularWeight: 437.87076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO7/c1-26-16-6-5-13(9-17(16)27-2)7-8-23-19(24)12-30-21(25)14-10-15(22)20(29-4)18(11-14)28-3/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,24)