ethyl (2S,3S)-3-bromanyl-1-cyclopropyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-2-phenyl-2H-quinoline-3-carboxylate

Systemtic Name: ethyl (2S,3S)-3-bromanyl-1-cyclopropyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-2-phenyl-2H-quinoline-3-carboxylate Openeye Name: ethyl (2S,3S)-3-bromo-1-cyclopropyl-6,7,8-trifluoro-4-oxo-2-phenyl-2H-quinoline-3-carboxylate CAS Name: (2S,3S)-3-bromo-1-cyclopropyl-6,7,8-trifluoro-4-oxo-2-phenyl-2H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-bromo-1-cyclopropyl-6,7,8-trifluoro-4-oxo-2-phenyl-2H-quinoline-3-carboxylate Traditional Name: (2S,3S)-3-bromo-1-cyclopropyl-6,7,8-trifluoro-4-keto-2-phenyl-2H-quinoline-3-carboxylic acid ethyl ester Formula: C21H17BrF3NO3 MolecularWeight: 468.26379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H](N(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H17BrF3NO3/c1-2-29-20(28)21(22)18(11-6-4-3-5-7-11)26(12-8-9-12)17-13(19(21)27)10-14(23)15(24)16(17)25/h3-7,10,12,18H,2,8-9H2,1H3/t18-,21-/m0/s1