1-[2-[4-(4,5-diphenylfuran-3-yl)phenoxy]ethyl]pyrrolidine; ethanedioate; hydrate

Systemtic Name: 1-[2-[4-(4,5-diphenylfuran-3-yl)phenoxy]ethyl]pyrrolidine; ethanedioate; hydrate Openeye Name: 1-[2-[4-(4,5-diphenyl-3-furyl)phenoxy]ethyl]pyrrolidine; oxalate; hydrate CAS Name: 1-[2-[4-(4,5-diphenyl-3-furanyl)phenoxy]ethyl]pyrrolidine; oxalate; hydrate IUPAC Name: 1-[2-[4-(4,5-diphenylfuran-3-yl)phenoxy]ethyl]pyrrolidine; oxalate; hydrate Traditional Name: 1-[2-[4-(4,5-diphenyl-3-furyl)phenoxy]ethyl]pyrrolidine; oxalate; hydrate Formula: C30H29NO7-2 MolecularWeight: 515.55376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=COC(=C3C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=COC(=C3C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/C28H27NO2.C2H2O4.H2O/c1-3-9-23(10-4-1)27-26(21-31-28(27)24-11-5-2-6-12-24)22-13-15-25(16-14-22)30-20-19-29-17-7-8-18-29;3-1(4)2(5)6;/h1-6,9-16,21H,7-8,17-20H2;(H,3,4)(H,5,6);1H2/p-2