1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(5-methyl-2-pyridyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-15-4-7-20(24-12-15)21(25-10-2-3-19(14-25)22(26)27)17-5-6-18-13-23-9-8-16(18)11-17/h4-9,11-13,19,21H,2-3,10,14H2,1H3,(H,26,27)