phenacyl 6-bromanyl-7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-benzyloxyphenyl)-6-bromo-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7-chloro-8-methyl-cinchoninic acid phenacyl ester Formula: C32H23BrClNO4 MolecularWeight: 600.88632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H23BrClNO4/c1-20-30(34)27(33)16-25-26(32(37)39-19-29(36)23-10-6-3-7-11-23)17-28(35-31(20)25)22-12-14-24(15-13-22)38-18-21-8-4-2-5-9-21/h2-17H,18-19H2,1H3