ethanedioic acid; (2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propyl) propanoate

Systemtic Name: ethanedioic acid; (2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propyl) propanoate Openeye Name: (2-methyl-1,1-diphenyl-3-pyrrolidin-1-yl-propyl) propanoate; oxalic acid CAS Name: oxalic acid; propanoic acid [2-methyl-1,1-diphenyl-3-(1-pyrrolidinyl)propyl] ester IUPAC Name: (2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) propanoate; oxalic acid Traditional Name: oxalic acid; propionic acid (2-methyl-1,1-diphenyl-3-pyrrolidino-propyl) ester Formula: C25H31NO6 MolecularWeight: 441.51674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO2.C2H2O4/c1-3-22(25)26-23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)19(2)18-24-16-10-11-17-24;3-1(4)2(5)6/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3;(H,3,4)(H,5,6)