ethanedioic acid; 4-[4-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]butan-2-one

Systemtic Name: ethanedioic acid; 4-[4-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]butan-2-one; oxalic acid CAS Name: 4-[4-[3-(4-ethyl-1-piperazinyl)propoxy]phenyl]-2-butanone; oxalic acid IUPAC Name: 4-[4-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]butan-2-one; oxalic acid Traditional Name: 4-[4-[3-(4-ethylpiperazino)propoxy]phenyl]butan-2-one; oxalic acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=CC=C(C=C2)CCC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=CC=C(C=C2)CCC(=O)C.C(=O)(C(=O)O)O

InChI

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