ethanedioic acid; 1-ethyl-4-(3-methylphenoxy)pyrrolidin-3-ol

Systemtic Name: ethanedioic acid; 1-ethyl-4-(3-methylphenoxy)pyrrolidin-3-ol Openeye Name: 1-ethyl-4-(3-methylphenoxy)pyrrolidin-3-ol; oxalic acid CAS Name: 1-ethyl-4-(3-methylphenoxy)-3-pyrrolidinol; oxalic acid IUPAC Name: 1-ethyl-4-(3-methylphenoxy)pyrrolidin-3-ol; oxalic acid Traditional Name: 1-ethyl-4-(3-methylphenoxy)pyrrolidin-3-ol; oxalic acid Formula: C15H21NO6 MolecularWeight: 311.33034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1)OC2=CC=CC(=C2)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CC(C(C1)OC2=CC=CC(=C2)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO2.C2H2O4/c1-3-14-8-12(15)13(9-14)16-11-6-4-5-10(2)7-11;3-1(4)2(5)6/h4-7,12-13,15H,3,8-9H2,1-2H3;(H,3,4)(H,5,6)