6-bromanyl-3-[4-(2-cyanophenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-[4-(2-cyanophenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-propylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-propyl-cinchoninic acid Formula: C26H19BrN2O3 MolecularWeight: 487.34466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)OC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)OC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H19BrN2O3/c1-2-5-23-25(24(26(30)31)21-14-18(27)10-13-22(21)29-23)32-19-11-8-16(9-12-19)20-7-4-3-6-17(20)15-28/h3-4,6-14H,2,5H2,1H3,(H,30,31)