phenacyl 6-bromanyl-2-(3-methoxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-2-(3-methoxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(3-methoxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-7,8-dimethyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(3-methoxyphenyl)-7,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)-7,8-dimethyl-cinchoninic acid phenacyl ester Formula: C27H22BrNO4 MolecularWeight: 504.37188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO4/c1-16-17(2)26-21(13-23(16)28)22(14-24(29-26)19-10-7-11-20(12-19)32-3)27(31)33-15-25(30)18-8-5-4-6-9-18/h4-14H,15H2,1-3H3