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

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-3-pyrrolidin-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(p-tolyl)-3-pyrrolidin-1-yl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-methylphenyl)-3-(1-pyrrolidinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(p-tolyl)-3-pyrrolidino-cinchoninic acid Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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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)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)N4CCCC4

InChI

InChI=1S/C21H19BrN2O2/c1-13-4-6-14(7-5-13)19-20(24-10-2-3-11-24)18(21(25)26)16-12-15(22)8-9-17(16)23-19/h4-9,12H,2-3,10-11H2,1H3,(H,25,26)