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

Systemtic Name: 1-(isoquinolin-6-ylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-(6-isoquinolylmethyl)piperidine-3-carboxylic acid CAS Name: 1-(6-isoquinolinylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(isoquinolin-6-ylmethyl)piperidine-3-carboxylic acid Traditional Name: 1-(6-isoquinolylmethyl)nipecotic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)C=NC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2)C=NC=C3)C(=O)O

InChI

InChI=1S/C16H18N2O2/c19-16(20)15-2-1-7-18(11-15)10-12-3-4-14-9-17-6-5-13(14)8-12/h3-6,8-9,15H,1-2,7,10-11H2,(H,19,20)