ethanedioic acid; 4-[3-(5-ethyl-2-methyl-piperidin-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[3-(5-ethyl-2-methyl-piperidin-1-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(5-ethyl-2-methyl-1-piperidyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-[3-(5-ethyl-2-methyl-1-piperidinyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[3-(5-ethyl-2-methylpiperidin-1-yl)propoxy]benzonitrile; oxalic acid Traditional Name: 4-[3-(5-ethyl-2-methyl-piperidino)propoxy]benzonitrile; oxalic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)CCCOC2=CC=C(C=C2)C#N)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1CCC(N(C1)CCCOC2=CC=C(C=C2)C#N)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O.C2H2O4/c1-3-16-6-5-15(2)20(14-16)11-4-12-21-18-9-7-17(13-19)8-10-18;3-1(4)2(5)6/h7-10,15-16H,3-6,11-12,14H2,1-2H3;(H,3,4)(H,5,6)