ethanedioic acid; 4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one

Systemtic Name: ethanedioic acid; 4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one; oxalic acid CAS Name: 4-[4-[4-(4-methyl-1-piperazinyl)butoxy]phenyl]-2-butanone; oxalic acid IUPAC Name: 4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one; oxalic acid Traditional Name: 4-[4-[4-(4-methylpiperazino)butoxy]phenyl]butan-2-one; oxalic acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O2.C2H2O4/c1-17(22)5-6-18-7-9-19(10-8-18)23-16-4-3-11-21-14-12-20(2)13-15-21;3-1(4)2(5)6/h7-10H,3-6,11-16H2,1-2H3;(H,3,4)(H,5,6)