[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H23BrN2O3/c1-16-6-5-9-23(18(16)3)29-25(31)15-33-27(32)22-14-24(19-10-12-20(28)13-11-19)30-26-17(2)7-4-8-21(22)26/h4-14H,15H2,1-3H3,(H,29,31)