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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-(4-benzyloxyphenyl)-6-bromo-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C32H24BrNO4 MolecularWeight: 566.44126

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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)OCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H24BrNO4/c1-21(31(35)24-10-6-3-7-11-24)38-32(36)28-19-30(34-29-17-14-25(33)18-27(28)29)23-12-15-26(16-13-23)37-20-22-8-4-2-5-9-22/h2-19,21H,20H2,1H3