1-[1-(3-piperidin-1-ylphenyl)pent-2-ynyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3-piperidin-1-ylphenyl)pent-2-ynyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-[3-(1-piperidyl)phenyl]pent-2-ynyl]piperidine-4-carboxylic acid CAS Name: 1-[1-[3-(1-piperidinyl)phenyl]pent-2-ynyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-piperidin-1-ylphenyl)pent-2-ynyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-piperidinophenyl)pent-2-ynyl]isonipecotic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC(=CC=C1)N2CCCCC2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC#CC(C1=CC(=CC=C1)N2CCCCC2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H30N2O2/c1-2-3-10-21(24-15-11-18(12-16-24)22(25)26)19-8-7-9-20(17-19)23-13-5-4-6-14-23/h7-9,17-18,21H,2,4-6,11-16H2,1H3,(H,25,26)