ethanedioic acid; 1-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone Openeye Name: oxalic acid; 1-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone CAS Name: oxalic acid; 1-[4-[[4-(1-pyrrolidinylmethyl)phenyl]methoxy]phenyl]ethanone IUPAC Name: oxalic acid; 1-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone Traditional Name: oxalic acid; 1-[4-[4-(pyrrolidinomethyl)benzyl]oxyphenyl]ethanone Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NO2.C2H2O4/c1-16(22)19-8-10-20(11-9-19)23-15-18-6-4-17(5-7-18)14-21-12-2-3-13-21;3-1(4)2(5)6/h4-11H,2-3,12-15H2,1H3;(H,3,4)(H,5,6)