(1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-bromo-7-chloro-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C27H21BrClNO4 MolecularWeight: 538.81694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)OC(C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)OC(C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H21BrClNO4/c1-15-24(29)22(28)13-20-21(27(32)34-16(2)26(31)17-8-5-4-6-9-17)14-23(30-25(15)20)18-10-7-11-19(12-18)33-3/h4-14,16H,1-3H3