1-[(5-methylpyridin-2-yl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-(4-quinolyl)methyl]nipecotic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

InChI

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