6-bromanyl-2-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-[(2S)-butan-2-yl]phenyl]-3-methylquinoline-4-carboxylic acid Traditional Name: 6-bromo-3-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninic acid Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)C

InChI

InChI=1S/C21H20BrNO2/c1-4-12(2)14-5-7-15(8-6-14)20-13(3)19(21(24)25)17-11-16(22)9-10-18(17)23-20/h5-12H,4H2,1-3H3,(H,24,25)/t12-/m0/s1