ethanedioic acid; 3-methoxy-2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde

Systemtic Name: ethanedioic acid; 3-methoxy-2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde Openeye Name: 3-methoxy-2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid CAS Name: 3-methoxy-2-[4-(4-methyl-1-piperazinyl)butoxy]benzaldehyde; oxalic acid IUPAC Name: 3-methoxy-2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid Traditional Name: 3-methoxy-2-[4-(4-methylpiperazino)butoxy]benzaldehyde; oxalic acid Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCOC2=C(C=CC=C2OC)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCOC2=C(C=CC=C2OC)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c1-18-9-11-19(12-10-18)8-3-4-13-22-17-15(14-20)6-5-7-16(17)21-2;3-1(4)2(5)6/h5-7,14H,3-4,8-13H2,1-2H3;(H,3,4)(H,5,6)