ethanedioate; 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propoxy]phenyl]ethanone

Systemtic Name: ethanedioate; 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propoxy]phenyl]ethanone; oxalate CAS Name: 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)-1-pyrrolidinyl]propoxy]phenyl]ethanone; oxalate IUPAC Name: 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propoxy]phenyl]ethanone; oxalate Traditional Name: 1-[3-methoxy-4-[3-[3-(2-methoxyphenoxy)pyrrolidino]propoxy]phenyl]ethanone; oxalate Formula: C25H29NO9-2 MolecularWeight: 487.49906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H29NO5.C2H2O4/c1-17(25)18-9-10-21(23(15-18)27-3)28-14-6-12-24-13-11-19(16-24)29-22-8-5-4-7-20(22)26-2;3-1(4)2(5)6/h4-5,7-10,15,19H,6,11-14,16H2,1-3H3;(H,3,4)(H,5,6)/p-2