[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C23H18BrN3O4 MolecularWeight: 480.31072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)NC3=NOC(=C3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)NC3=NOC(=C3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O4/c1-13-4-3-5-17-18(11-19(25-22(13)17)15-6-8-16(24)9-7-15)23(29)30-12-21(28)26-20-10-14(2)31-27-20/h3-11H,12H2,1-2H3,(H,26,27,28)