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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCCN2CCN(CC2)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCCN2CCN(CC2)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O2.C2H2O4/c1-3-18(22)17-9-5-6-10-19(17)23-16-8-7-11-21-14-12-20(4-2)13-15-21;3-1(4)2(5)6/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3;(H,3,4)(H,5,6)