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

Systemtic Name: ethanedioic acid; 3-ethoxy-4-[4-(4-ethylpiperazin-1-yl)butoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[4-(4-ethylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid CAS Name: 3-ethoxy-4-[4-(4-ethyl-1-piperazinyl)butoxy]benzaldehyde; oxalic acid IUPAC Name: 3-ethoxy-4-[4-(4-ethylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid Traditional Name: 3-ethoxy-4-[4-(4-ethylpiperazino)butoxy]benzaldehyde; oxalic acid Formula: C21H32N2O7 MolecularWeight: 424.48798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2)C=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2)C=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O3.C2H2O4/c1-3-20-10-12-21(13-11-20)9-5-6-14-24-18-8-7-17(16-22)15-19(18)23-4-2;3-1(4)2(5)6/h7-8,15-16H,3-6,9-14H2,1-2H3;(H,3,4)(H,5,6)