1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(4-piperidinobut-1-ynyl)benzyl]isonipecotic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC=C(C=C2)CN3CCC(CC3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC=C(C=C2)CN3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H30N2O2/c25-22(26)21-11-16-24(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-23-13-3-1-4-14-23/h7-10,21H,1,3-5,11-18H2,(H,25,26)