ethanedioic acid; 3-ethoxy-3-[(2-ethoxyphenoxy)methyl]-1-(phenylmethyl)pyrrolidine

Systemtic Name: ethanedioic acid; 3-ethoxy-3-[(2-ethoxyphenoxy)methyl]-1-(phenylmethyl)pyrrolidine Openeye Name: 1-benzyl-3-ethoxy-3-[(2-ethoxyphenoxy)methyl]pyrrolidine; oxalic acid CAS Name: 3-ethoxy-3-[(2-ethoxyphenoxy)methyl]-1-(phenylmethyl)pyrrolidine; oxalic acid IUPAC Name: 1-benzyl-3-ethoxy-3-[(2-ethoxyphenoxy)methyl]pyrrolidine; oxalic acid Traditional Name: 1-benzyl-3-ethoxy-3-[(2-ethoxyphenoxy)methyl]pyrrolidine; oxalic acid Formula: C24H31NO7 MolecularWeight: 445.50544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC2(CCN(C2)CC3=CC=CC=C3)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1OCC2(CCN(C2)CC3=CC=CC=C3)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29NO3.C2H2O4/c1-3-24-20-12-8-9-13-21(20)25-18-22(26-4-2)14-15-23(17-22)16-19-10-6-5-7-11-19;3-1(4)2(5)6/h5-13H,3-4,14-18H2,1-2H3;(H,3,4)(H,5,6)