[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H22N2O6/c1-2-3-8-18-17(22)19-15(20)10-23-16(21)7-5-12-4-6-13-14(9-12)25-11-24-13/h4,6,9H,2-3,5,7-8,10-11H2,1H3,(H2,18,19,20,22)