[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H26N2O7/c1-19(2,3)28-18(24)20-8-4-5-17(23)25-11-16(22)21-10-13-6-7-14-15(9-13)27-12-26-14/h6-7,9H,4-5,8,10-12H2,1-3H3,(H,20,24)(H,21,22)