[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N2O6/c21-16(20-7-3-1-2-4-8-20)11-24-17(22)10-19-18(23)13-5-6-14-15(9-13)26-12-25-14/h5-6,9H,1-4,7-8,10-12H2,(H,19,23)