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

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

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

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O


Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O


InChI

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


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