ethanedioic acid; 2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde

Systemtic Name: ethanedioic acid; 2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde Openeye Name: 2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid CAS Name: 2-[4-(4-methyl-1-piperazinyl)butoxy]benzaldehyde; oxalic acid IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid Traditional Name: 2-[4-(4-methylpiperazino)butoxy]benzaldehyde; oxalic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCOC2=CC=CC=C2C=O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCOC2=CC=CC=C2C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O2.C2H2O4/c1-17-9-11-18(12-10-17)8-4-5-13-20-16-7-3-2-6-15(16)14-19;3-1(4)2(5)6/h2-3,6-7,14H,4-5,8-13H2,1H3;(H,3,4)(H,5,6)