[(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [(1R)-2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [(1R)-2-(4-chloro-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H18ClFN2O3 MolecularWeight: 412.841323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H18ClFN2O3/c1-12(21(27)26-19-9-8-14(23)10-17(19)24)29-22(28)16-11-20(13-6-7-13)25-18-5-3-2-4-15(16)18/h2-5,8-13H,6-7H2,1H3,(H,26,27)/t12-/m1/s1