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

Systemtic Name: ethanedioic acid; 4-(4-piperidin-1-ylbutoxy)benzaldehyde Openeye Name: oxalic acid; 4-[4-(1-piperidyl)butoxy]benzaldehyde CAS Name: oxalic acid; 4-[4-(1-piperidinyl)butoxy]benzaldehyde IUPAC Name: oxalic acid; 4-(4-piperidin-1-ylbutoxy)benzaldehyde Traditional Name: oxalic acid; 4-(4-piperidinobutoxy)benzaldehyde Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCOC2=CC=C(C=C2)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCCOC2=CC=C(C=C2)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2.C2H2O4/c18-14-15-6-8-16(9-7-15)19-13-5-4-12-17-10-2-1-3-11-17;3-1(4)2(5)6/h6-9,14H,1-5,10-13H2;(H,3,4)(H,5,6)