8-methyl-2-phenyl-3-piperidin-1-yl-quinoline-4-carboxylic acid

Systemtic Name: 8-methyl-2-phenyl-3-piperidin-1-yl-quinoline-4-carboxylic acid Openeye Name: 8-methyl-2-phenyl-3-(1-piperidyl)quinoline-4-carboxylic acid CAS Name: 8-methyl-2-phenyl-3-(1-piperidinyl)-4-quinolinecarboxylic acid IUPAC Name: 8-methyl-2-phenyl-3-piperidin-1-ylquinoline-4-carboxylic acid Traditional Name: 8-methyl-2-phenyl-3-piperidino-cinchoninic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)N4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)N4CCCCC4)C(=O)O

InChI

InChI=1S/C22H22N2O2/c1-15-9-8-12-17-18(22(25)26)21(24-13-6-3-7-14-24)20(23-19(15)17)16-10-4-2-5-11-16/h2,4-5,8-12H,3,6-7,13-14H2,1H3,(H,25,26)