4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-[3-(3,5-dimethyl-1-piperidyl)propoxy]benzonitrile; oxalic acid CAS Name: 4-[3-(3,5-dimethyl-1-piperidinyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzonitrile; oxalic acid Traditional Name: 4-[3-(3,5-dimethylpiperidino)propoxy]benzonitrile; oxalic acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCOC2=CC=C(C=C2)C#N)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)CCCOC2=CC=C(C=C2)C#N)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O.C2H2O4/c1-14-10-15(2)13-19(12-14)8-3-9-20-17-6-4-16(11-18)5-7-17;3-1(4)2(5)6/h4-7,14-15H,3,8-10,12-13H2,1-2H3;(H,3,4)(H,5,6)