ethanedioic acid; [4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[3-(4-methylpiperazino)propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-22-13-15-23(16-14-22)12-5-17-25-20-10-8-19(9-11-20)21(24)18-6-3-2-4-7-18;3-1(4)2(5)6/h2-4,6-11H,5,12-17H2,1H3;(H,3,4)(H,5,6)