ethanedioic acid; 1-[3-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone Openeye Name: 1-[3-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-[4-(4-methyl-1-piperazinyl)butoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-[4-(4-methylpiperazino)butoxy]phenyl]ethanone; oxalic acid Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O2.C2H2O4/c1-15(20)16-6-5-7-17(14-16)21-13-4-3-8-19-11-9-18(2)10-12-19;3-1(4)2(5)6/h5-7,14H,3-4,8-13H2,1-2H3;(H,3,4)(H,5,6)