ethanedioic acid; 1-[3-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone Openeye Name: oxalic acid; 1-[3-[2-[2-(3-pyridyl)-1-piperidyl]ethoxy]phenyl]ethanone CAS Name: oxalic acid; 1-[3-[2-[2-(3-pyridinyl)-1-piperidinyl]ethoxy]phenyl]ethanone IUPAC Name: oxalic acid; 1-[3-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone Traditional Name: oxalic acid; 1-[3-[2-[2-(3-pyridyl)piperidino]ethoxy]phenyl]ethanone Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCN2CCCCC2C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCN2CCCCC2C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2.C2H2O4/c1-16(23)17-6-4-8-19(14-17)24-13-12-22-11-3-2-9-20(22)18-7-5-10-21-15-18;3-1(4)2(5)6/h4-8,10,14-15,20H,2-3,9,11-13H2,1H3;(H,3,4)(H,5,6)