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

Systemtic Name: ethanedioate; 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone; oxalate CAS Name: 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)-1-pyrrolidinyl]butoxy]phenyl]ethanone; oxalate IUPAC Name: 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butoxy]phenyl]ethanone; oxalate Traditional Name: 1-[3-methoxy-4-[4-[3-(2-methoxyphenoxy)pyrrolidino]butoxy]phenyl]ethanone; oxalate Formula: C26H31NO9-2 MolecularWeight: 501.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCC(C2)OC3=CC=CC=C3OC)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H31NO5.C2H2O4/c1-18(26)19-10-11-22(24(16-19)28-3)29-15-7-6-13-25-14-12-20(17-25)30-23-9-5-4-8-21(23)27-2;3-1(4)2(5)6/h4-5,8-11,16,20H,6-7,12-15,17H2,1-3H3;(H,3,4)(H,5,6)/p-2