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1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-4-carboxylic acid

1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-4-carboxylic acid
Openeye Name:1-[6-isoquinolyl(p-tolyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[6-isoquinolinyl-(4-methylphenyl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[isoquinolin-6-yl-(4-methylphenyl)methyl]piperidine-4-carboxylic acid
Traditional Name:1-[6-isoquinolyl(p-tolyl)methyl]isonipecotic acid
Formula: C23H24N2O2
MolecularWeight: 360.44886
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O


InChI

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


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