1-(1-isoquinolin-6-ylethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-isoquinolin-6-ylethyl)piperidine-3-carboxylic acid Openeye Name: 1-[1-(6-isoquinolyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(6-isoquinolinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-isoquinolin-6-ylethyl)piperidine-3-carboxylic acid Traditional Name: 1-[1-(6-isoquinolyl)ethyl]nipecotic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=NC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=NC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-12(19-8-2-3-16(11-19)17(20)21)13-4-5-15-10-18-7-6-14(15)9-13/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,20,21)