ethanedioic acid; 1-[3-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[2-hydroxy-3-(4-methyl-1-piperidyl)propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-[2-hydroxy-3-(4-methyl-1-piperidinyl)propoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-[2-hydroxy-3-(4-methylpiperidino)propoxy]phenyl]ethanone; oxalic acid Formula: C19H27NO7 MolecularWeight: 381.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25NO3.C2H2O4/c1-13-6-8-18(9-7-13)11-16(20)12-21-17-5-3-4-15(10-17)14(2)19;3-1(4)2(5)6/h3-5,10,13,16,20H,6-9,11-12H2,1-2H3;(H,3,4)(H,5,6)