1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(4-piperidinobut-1-ynyl)benzyl]nipecotic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCCC(C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H30N2O2/c25-22(26)21-11-7-15-24(18-21)17-20-10-6-9-19(16-20)8-2-5-14-23-12-3-1-4-13-23/h6,9-10,16,21H,1,3-5,7,11-15,17-18H2,(H,25,26)