ethanedioic acid; 1-[3-(3-piperidin-1-ylpropoxy)phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-(3-piperidin-1-ylpropoxy)phenyl]ethanone Openeye Name: oxalic acid; 1-[3-[3-(1-piperidyl)propoxy]phenyl]ethanone CAS Name: oxalic acid; 1-[3-[3-(1-piperidinyl)propoxy]phenyl]ethanone IUPAC Name: oxalic acid; 1-[3-(3-piperidin-1-ylpropoxy)phenyl]ethanone Traditional Name: oxalic acid; 1-[3-(3-piperidinopropoxy)phenyl]ethanone Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCCN2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCCN2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2.C2H2O4/c1-14(18)15-7-5-8-16(13-15)19-12-6-11-17-9-3-2-4-10-17;3-1(4)2(5)6/h5,7-8,13H,2-4,6,9-12H2,1H3;(H,3,4)(H,5,6)