[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H23BrN2O4/c1-16-5-4-6-23(17(16)2)30-26(31)15-34-27(32)22-14-25(18-7-10-20(33-3)11-8-18)29-24-12-9-19(28)13-21(22)24/h4-14H,15H2,1-3H3,(H,30,31)