phenacyl 6-bromanyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(4-isopropylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-p-cumenyl-cinchoninic acid phenacyl ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO3/c1-17(2)18-8-10-19(11-9-18)25-15-23(22-14-21(28)12-13-24(22)29-25)27(31)32-16-26(30)20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3