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1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[6-isoquinolyl(o-tolyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[6-isoquinolinyl-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[isoquinolin-6-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[6-isoquinolyl(o-tolyl)methyl]nipecotic acid
Formula: C23H24N2O2
MolecularWeight: 360.44886
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O


Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O


InChI

InChI=1S/C23H24N2O2/c1-16-5-2-3-7-21(16)22(25-12-4-6-20(15-25)23(26)27)18-8-9-19-14-24-11-10-17(19)13-18/h2-3,5,7-11,13-14,20,22H,4,6,12,15H2,1H3,(H,26,27)


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