6-bromanyl-2-(4-methylphenyl)-3-piperidin-1-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-3-piperidin-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-(1-piperidyl)-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-methylphenyl)-3-(1-piperidinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-methylphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-piperidino-2-(p-tolyl)cinchoninic acid Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)N4CCCCC4

InChI

InChI=1S/C22H21BrN2O2/c1-14-5-7-15(8-6-14)20-21(25-11-3-2-4-12-25)19(22(26)27)17-13-16(23)9-10-18(17)24-20/h5-10,13H,2-4,11-12H2,1H3,(H,26,27)