6-bromanyl-2-phenyl-3-piperidin-1-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-phenyl-3-piperidin-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-phenyl-3-(1-piperidyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-phenyl-3-(1-piperidinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-phenyl-3-piperidin-1-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-phenyl-3-piperidino-cinchoninic acid Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(N=C3C=CC(=CC3=C2C(=O)O)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(N=C3C=CC(=CC3=C2C(=O)O)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H19BrN2O2/c22-15-9-10-17-16(13-15)18(21(25)26)20(24-11-5-2-6-12-24)19(23-17)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)