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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(3-quinolyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

InChI

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