phenacyl 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-cinchoninic acid phenacyl ester Formula: C27H21BrClNO3 MolecularWeight: 522.81754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H21BrClNO3/c1-3-17-13-20(28)14-22-24(27(32)33-15-23(31)18-7-5-4-6-8-18)16(2)25(30-26(17)22)19-9-11-21(29)12-10-19/h4-14H,3,15H2,1-2H3