phenacyl 2-(4-bromophenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-bromophenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-bromophenyl)-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-7-chloro-8-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-bromophenyl)-7-chloro-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-7-chloro-8-methyl-cinchoninic acid phenacyl ester Formula: C25H17BrClNO3 MolecularWeight: 494.76438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C25H17BrClNO3/c1-15-21(27)12-11-19-20(25(30)31-14-23(29)17-5-3-2-4-6-17)13-22(28-24(15)19)16-7-9-18(26)10-8-16/h2-13H,14H2,1H3