[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H17BrN2O3/c1-12-10-17(16-8-3-4-9-18(16)22-12)20(25)26-13(2)19(24)23-15-7-5-6-14(21)11-15/h3-11,13H,1-2H3,(H,23,24)/t13-/m1/s1