ethanedioic acid; phenyl-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone

Systemtic Name: ethanedioic acid; phenyl-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone Openeye Name: oxalic acid; phenyl-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone CAS Name: oxalic acid; phenyl-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]methanone IUPAC Name: oxalic acid; phenyl-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone Traditional Name: oxalic acid; phenyl-[4-(3-pyrrolidinopropoxy)phenyl]methanone Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NO2.C2H2O4/c22-20(17-7-2-1-3-8-17)18-9-11-19(12-10-18)23-16-6-15-21-13-4-5-14-21;3-1(4)2(5)6/h1-3,7-12H,4-6,13-16H2;(H,3,4)(H,5,6)