[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N2O6/c20-15(18-12-5-6-13-14(8-12)25-11-24-13)10-23-17(22)9-19-7-3-1-2-4-16(19)21/h5-6,8H,1-4,7,9-11H2,(H,18,20)