ethanedioic acid; 1-ethyl-4-phenoxy-pyrrolidin-3-ol; hydrate

Systemtic Name: ethanedioic acid; 1-ethyl-4-phenoxy-pyrrolidin-3-ol; hydrate Openeye Name: 1-ethyl-4-phenoxy-pyrrolidin-3-ol; oxalic acid; hydrate CAS Name: 1-ethyl-4-phenoxy-3-pyrrolidinol; oxalic acid; hydrate IUPAC Name: 1-ethyl-4-phenoxypyrrolidin-3-ol; oxalic acid; hydrate Traditional Name: 1-ethyl-4-phenoxy-pyrrolidin-3-ol; oxalic acid; hydrate Formula: C14H21NO7 MolecularWeight: 315.31904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2.C2H2O4.H2O/c1-2-13-8-11(14)12(9-13)15-10-6-4-3-5-7-10;3-1(4)2(5)6;/h3-7,11-12,14H,2,8-9H2,1H3;(H,3,4)(H,5,6);1H2