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

Systemtic Name: 6-bromanyl-2-phenyl-3-pyrrolidin-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-phenyl-3-pyrrolidin-1-yl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-phenyl-3-(1-pyrrolidinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-phenyl-3-pyrrolidin-1-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-phenyl-3-pyrrolidino-cinchoninic acid Formula: C20H17BrN2O2 MolecularWeight: 397.26518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(N=C3C=CC(=CC3=C2C(=O)O)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(N=C3C=CC(=CC3=C2C(=O)O)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H17BrN2O2/c21-14-8-9-16-15(12-14)17(20(24)25)19(23-10-4-5-11-23)18(22-16)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,24,25)