ethanedioate; 2-morpholin-4-ylethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: ethanedioate; 2-morpholin-4-ylethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: 2-morpholinoethyl 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate; oxalate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid 2-(4-morpholinyl)ethyl ester; oxalate IUPAC Name: 2-morpholin-4-ylethyl 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate; oxalate Traditional Name: 4-hydroxy-1-piperonyloyl-pyrrolidine-2-carboxylic acid 2-morpholinoethyl ester; oxalate Formula: C21H24N2O11-2 MolecularWeight: 480.42206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)C2CC(CN2C(=O)C3=CC4=C(C=C3)OCO4)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1COCCN1CCOC(=O)C2CC(CN2C(=O)C3=CC4=C(C=C3)OCO4)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H24N2O7.C2H2O4/c22-14-10-15(19(24)26-8-5-20-3-6-25-7-4-20)21(11-14)18(23)13-1-2-16-17(9-13)28-12-27-16;3-1(4)2(5)6/h1-2,9,14-15,22H,3-8,10-12H2;(H,3,4)(H,5,6)/p-2