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

Systemtic Name: ethanedioic acid; 1-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone Openeye Name: oxalic acid; 1-[4-[[4-(1-piperidylmethyl)phenyl]methoxy]phenyl]ethanone CAS Name: oxalic acid; 1-[4-[[4-(1-piperidinylmethyl)phenyl]methoxy]phenyl]ethanone IUPAC Name: oxalic acid; 1-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone Traditional Name: oxalic acid; 1-[4-[4-(piperidinomethyl)benzyl]oxyphenyl]ethanone Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO2.C2H2O4/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22;3-1(4)2(5)6/h5-12H,2-4,13-16H2,1H3;(H,3,4)(H,5,6)