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

Systemtic Name: ethanedioic acid; [4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]-phenyl-methanone Openeye Name: [4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[4-(4-methyl-1-piperazinyl)butoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[4-(4-methylpiperazino)butoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O2.C2H2O4/c1-23-14-16-24(17-15-23)13-5-6-18-26-21-11-9-20(10-12-21)22(25)19-7-3-2-4-8-19;3-1(4)2(5)6/h2-4,7-12H,5-6,13-18H2,1H3;(H,3,4)(H,5,6)