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

Systemtic Name: ethanedioic acid; 3-ethoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid CAS Name: 3-ethoxy-4-[4-(4-methyl-1-piperazinyl)butoxy]benzaldehyde; oxalic acid IUPAC Name: 3-ethoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde; oxalic acid Traditional Name: 3-ethoxy-4-[4-(4-methylpiperazino)butoxy]benzaldehyde; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-3-22-18-14-16(15-21)6-7-17(18)23-13-5-4-8-20-11-9-19(2)10-12-20;3-1(4)2(5)6/h6-7,14-15H,3-5,8-13H2,1-2H3;(H,3,4)(H,5,6)