[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic 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] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CC(=O)N(C3)CC4=CC=CO4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CO4

InChI

InChI=1S/C21H22N2O7/c1-13(20(25)22-9-14-4-5-17-18(7-14)29-12-28-17)30-21(26)15-8-19(24)23(10-15)11-16-3-2-6-27-16/h2-7,13,15H,8-12H2,1H3,(H,22,25)/t13-,15+/m1/s1