(1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C26H20BrNO4 MolecularWeight: 490.3453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H20BrNO4/c1-16(25(29)18-6-4-3-5-7-18)32-26(30)22-15-24(17-8-11-20(31-2)12-9-17)28-23-13-10-19(27)14-21(22)23/h3-16H,1-2H3