6-bromanyl-2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(2,4-diethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(2,4-diethoxyphenyl)cinchoninic acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)OCC

InChI

InChI=1S/C20H18BrNO4/c1-3-25-13-6-7-14(19(10-13)26-4-2)18-11-16(20(23)24)15-9-12(21)5-8-17(15)22-18/h5-11H,3-4H2,1-2H3,(H,23,24)