O2-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O2-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O2-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester O1-tert-butyl ester IUPAC Name: 2-O-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N2O7/c1-13(18(24)22-11-14-7-8-16-17(10-14)28-12-27-16)29-19(25)15-6-5-9-23(15)20(26)30-21(2,3)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,22,24)/t13-,15+/m1/s1