ethanedioate; 1-spiro[2H-indole-3,3'-pyrrolidine]-1-ylethanone

Systemtic Name: ethanedioate; 1-spiro[2H-indole-3,3'-pyrrolidine]-1-ylethanone Openeye Name: oxalate; 1-spiro[indoline-3,3'-pyrrolidine]-1-ylethanone CAS Name: oxalate; 1-(1-spiro[2H-indole-3,3'-pyrrolidine]yl)ethanone IUPAC Name: oxalate; 1-spiro[2H-indole-3,3'-pyrrolidine]-1-ylethanone Traditional Name: oxalate; 1-spiro[indoline-3,3'-pyrrolidine]-1-ylethanone Formula: C58H64N8O16-6 MolecularWeight: 1129.17276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.CC(=O)N1CC2(CCNC2)C3=CC=CC=C31.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/4C13H16N2O.3C2H2O4/c4*1-10(16)15-9-13(6-7-14-8-13)11-4-2-3-5-12(11)15;3*3-1(4)2(5)6/h4*2-5,14H,6-9H2,1H3;3*(H,3,4)(H,5,6)/p-6