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

Systemtic Name: ethanedioic acid; 4-[4-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]butan-2-one; oxalic acid CAS Name: oxalic acid; 4-[4-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]butan-2-one; oxalic acid Traditional Name: 4-[4-[3-(4-benzylpiperazino)propoxy]phenyl]butan-2-one; oxalic acid Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O2.C2H2O4/c1-21(27)8-9-22-10-12-24(13-11-22)28-19-5-14-25-15-17-26(18-16-25)20-23-6-3-2-4-7-23;3-1(4)2(5)6/h2-4,6-7,10-13H,5,8-9,14-20H2,1H3;(H,3,4)(H,5,6)