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

Systemtic Name: 3-[4-(2-aminocarbonylphenyl)phenoxy]-6-bromanyl-2-propyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-propylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-[4-(2-carbamoylphenyl)phenoxy]-2-propyl-cinchoninic acid Formula: C26H21BrN2O4 MolecularWeight: 505.35994

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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(=O)N

Isomeric SMILES

CCCC1=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/C26H21BrN2O4/c1-2-5-22-24(23(26(31)32)20-14-16(27)10-13-21(20)29-22)33-17-11-8-15(9-12-17)18-6-3-4-7-19(18)25(28)30/h3-4,6-14H,2,5H2,1H3,(H2,28,30)(H,31,32)