phenacyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid phenacyl ester Formula: C24H16BrNO3 MolecularWeight: 446.29274

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C24H16BrNO3/c25-18-11-12-21-19(13-18)20(14-22(26-21)16-7-3-1-4-8-16)24(28)29-15-23(27)17-9-5-2-6-10-17/h1-14H,15H2