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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O6/c1-25-15-8-7-14(10-16(15)26-2)11-20-17(22)13-27-19(24)12-21-9-5-3-4-6-18(21)23/h7-8,10H,3-6,9,11-13H2,1-2H3,(H,20,22)