1-[(3-methylpyridin-4-yl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(3-quinolyl)methyl]nipecotic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

InChI

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