2-[4-[(2-bromanyl-2-methyl-propanoyl)amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[(2-bromanyl-2-methyl-propanoyl)amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(2-bromo-2-methyl-propanoyl)amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[(2-bromo-2-methyl-1-oxopropyl)amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2-bromo-2-methylpropanoyl)amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[(2-bromo-2-methyl-propanoyl)amino]phenyl]cinchoninic acid Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)Br

Isomeric SMILES

CC(C)(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)Br

InChI

InChI=1S/C20H17BrN2O3/c1-20(2,21)19(26)22-13-9-7-12(8-10-13)17-11-15(18(24)25)14-5-3-4-6-16(14)23-17/h3-11H,1-2H3,(H,22,26)(H,24,25)