1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-15-2-5-20(24-13-15)21(25-10-7-16(8-11-25)22(26)27)18-3-4-19-14-23-9-6-17(19)12-18/h2-6,9,12-14,16,21H,7-8,10-11H2,1H3,(H,26,27)