[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CN2CCCCCC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CN2CCCCCC2=O)OC

InChI

InChI=1S/C20H28N2O6/c1-26-16-8-7-15(12-17(16)27-2)9-10-21-18(23)14-28-20(25)13-22-11-5-3-4-6-19(22)24/h7-8,12H,3-6,9-11,13-14H2,1-2H3,(H,21,23)