O2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester O1-tert-butyl ester IUPAC Name: 2-O-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester O1-tert-butyl ester Formula: C19H24N2O7 MolecularWeight: 392.40306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H24N2O7/c1-19(2,3)28-18(24)21-8-4-5-13(21)17(23)25-10-16(22)20-12-6-7-14-15(9-12)27-11-26-14/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,22)/t13-/m0/s1