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

Systemtic Name: ethanedioic acid; 4-[4-[4-(4-ethylpiperazin-1-yl)butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-(4-ethylpiperazin-1-yl)butoxy]phenyl]butan-2-one; oxalic acid CAS Name: 4-[4-[4-(4-ethyl-1-piperazinyl)butoxy]phenyl]-2-butanone; oxalic acid IUPAC Name: 4-[4-[4-(4-ethylpiperazin-1-yl)butoxy]phenyl]butan-2-one; oxalic acid Traditional Name: 4-[4-[4-(4-ethylpiperazino)butoxy]phenyl]butan-2-one; oxalic acid Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=CC=C(C=C2)CCC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=CC=C(C=C2)CCC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O2.C2H2O4/c1-3-21-13-15-22(16-14-21)12-4-5-17-24-20-10-8-19(9-11-20)7-6-18(2)23;3-1(4)2(5)6/h8-11H,3-7,12-17H2,1-2H3;(H,3,4)(H,5,6)