ethanedioic acid; 3-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde

Systemtic Name: ethanedioic acid; 3-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde Openeye Name: 3-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid CAS Name: 3-[4-(4-methyl-1-piperazinyl)butoxy]benzaldehyde; oxalic acid IUPAC Name: 3-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid Traditional Name: 3-[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(=C2)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCOC2=CC=CC(=C2)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O2.C2H2O4/c1-17-8-10-18(11-9-17)7-2-3-12-20-16-6-4-5-15(13-16)14-19;3-1(4)2(5)6/h4-6,13-14H,2-3,7-12H2,1H3;(H,3,4)(H,5,6)