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

Systemtic Name: ethanedioic acid; 1-[2-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]propan-1-one Openeye Name: 1-[2-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]propan-1-one; oxalic acid CAS Name: 1-[2-[3-(4-ethyl-1-piperazinyl)propoxy]phenyl]-1-propanone; oxalic acid IUPAC Name: 1-[2-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]propan-1-one; oxalic acid Traditional Name: 1-[2-[3-(4-ethylpiperazino)propoxy]phenyl]propan-1-one; oxalic acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCN2CCN(CC2)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCN2CCN(CC2)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O2.C2H2O4/c1-3-17(21)16-8-5-6-9-18(16)22-15-7-10-20-13-11-19(4-2)12-14-20;3-1(4)2(5)6/h5-6,8-9H,3-4,7,10-15H2,1-2H3;(H,3,4)(H,5,6)