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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O7/c1-13(28-17(23)6-5-9-21-19(25)29-20(2,3)4)18(24)22-11-14-7-8-15-16(10-14)27-12-26-15/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,21,25)(H,22,24)/t13-/m1/s1