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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (3S)-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-cyclopentyl-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-cyclopentyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-cyclopentyl-5-keto-pyrrolidine-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CC(=O)N(C3)C4CCCC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@H]3CC(=O)N(C3)C4CCCC4

InChI

InChI=1S/C21H26N2O6/c1-13(20(25)22-10-14-6-7-17-18(8-14)28-12-27-17)29-21(26)15-9-19(24)23(11-15)16-4-2-3-5-16/h6-8,13,15-16H,2-5,9-12H2,1H3,(H,22,25)/t13-,15+/m1/s1