[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)-7,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)-7,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-fluorophenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-fluorophenyl)-7,8-dimethyl-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-fluorophenyl)-7,8-dimethyl-cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C27H21BrFNO4 MolecularWeight: 522.362343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)F)C(=O)OCC(=O)C4=CC(=CC=C4)OC)Br

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)F)C(=O)OCC(=O)C4=CC(=CC=C4)OC)Br

InChI

InChI=1S/C27H21BrFNO4/c1-15-16(2)26-21(12-23(15)28)22(13-24(30-26)17-7-9-19(29)10-8-17)27(32)34-14-25(31)18-5-4-6-20(11-18)33-3/h4-13H,14H2,1-3H3