6-bromanyl-2-(5-heptylfuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(5-heptylfuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(5-heptyl-2-furyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(5-heptyl-2-furanyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(5-heptylfuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(5-heptyl-2-furyl)cinchoninic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C21H22BrNO3/c1-2-3-4-5-6-7-15-9-11-20(26-15)19-13-17(21(24)25)16-12-14(22)8-10-18(16)23-19/h8-13H,2-7H2,1H3,(H,24,25)