[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid [(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H20BrN3O4 MolecularWeight: 482.3266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3O4/c1-13(21(28)27-23(30)25-16-8-9-16)31-22(29)18-12-20(14-5-3-2-4-6-14)26-19-10-7-15(24)11-17(18)19/h2-7,10-13,16H,8-9H2,1H3,(H2,25,27,28,30)/t13-/m0/s1