[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O3/c1-22(2,3)25-20(26)13-28-21(27)17-12-19(14-7-6-8-15(23)11-14)24-18-10-5-4-9-16(17)18/h4-12H,13H2,1-3H3,(H,25,26)