[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7/c1-25-16-7-5-14(6-8-16)9-10-22-19(23)13-29-21(24)15-11-17(26-2)20(28-4)18(12-15)27-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23)