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

Systemtic Name: 3-[4-(2-aminocarbonylphenyl)phenoxy]-6-bromanyl-2-ethyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-ethyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-ethyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-ethylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-ethyl-cinchoninic acid Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrN2O4/c1-2-20-23(22(25(30)31)19-13-15(26)9-12-21(19)28-20)32-16-10-7-14(8-11-16)17-5-3-4-6-18(17)24(27)29/h3-13H,2H2,1H3,(H2,27,29)(H,30,31)