1-(1-isoquinolin-6-yl-2-pyridin-2-yl-ethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-isoquinolin-6-yl-2-pyridin-2-yl-ethyl)piperidine-3-carboxylic acid Openeye Name: 1-[1-(6-isoquinolyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(6-isoquinolinyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-isoquinolin-6-yl-2-pyridin-2-ylethyl)piperidine-3-carboxylic acid Traditional Name: 1-[1-(6-isoquinolyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

InChI

InChI=1S/C22H23N3O2/c26-22(27)19-4-3-11-25(15-19)21(13-20-5-1-2-9-24-20)17-6-7-18-14-23-10-8-16(18)12-17/h1-2,5-10,12,14,19,21H,3-4,11,13,15H2,(H,26,27)