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

Systemtic Name: 6-bromanyl-3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-ethylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-cinchoninic acid Formula: C25H17BrN2O3 MolecularWeight: 473.31808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)OC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)OC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H17BrN2O3/c1-2-21-24(23(25(29)30)20-13-17(26)9-12-22(20)28-21)31-18-10-7-15(8-11-18)19-6-4-3-5-16(19)14-27/h3-13H,2H2,1H3,(H,29,30)