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1-[isoquinolin-6-yl(phenyl)methyl]piperidine-3-carboxylic acid

1-[isoquinolin-6-yl(phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[isoquinolin-6-yl(phenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[6-isoquinolyl(phenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[6-isoquinolinyl(phenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[isoquinolin-6-yl(phenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[6-isoquinolyl(phenyl)methyl]nipecotic acid
Formula: C22H22N2O2
MolecularWeight: 346.42228
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC4=C(C=C3)C=NC=C4)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC4=C(C=C3)C=NC=C4)C(=O)O


InChI

InChI=1S/C22H22N2O2/c25-22(26)20-7-4-12-24(15-20)21(16-5-2-1-3-6-16)18-8-9-19-14-23-11-10-17(19)13-18/h1-3,5-6,8-11,13-14,20-21H,4,7,12,15H2,(H,25,26)


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