ethanedioic acid; 3-ethoxy-4-(4-piperidin-1-ylbutoxy)benzaldehyde

Systemtic Name: ethanedioic acid; 3-ethoxy-4-(4-piperidin-1-ylbutoxy)benzaldehyde Openeye Name: 3-ethoxy-4-[4-(1-piperidyl)butoxy]benzaldehyde; oxalic acid CAS Name: 3-ethoxy-4-[4-(1-piperidinyl)butoxy]benzaldehyde; oxalic acid IUPAC Name: 3-ethoxy-4-(4-piperidin-1-ylbutoxy)benzaldehyde; oxalic acid Traditional Name: 3-ethoxy-4-(4-piperidinobutoxy)benzaldehyde; oxalic acid Formula: C20H29NO7 MolecularWeight: 395.44676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCCCN2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCCCN2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO3.C2H2O4/c1-2-21-18-14-16(15-20)8-9-17(18)22-13-7-6-12-19-10-4-3-5-11-19;3-1(4)2(5)6/h8-9,14-15H,2-7,10-13H2,1H3;(H,3,4)(H,5,6)