2-phosphonooxypropyl (3S)-3-(5-chloranyl-2-methoxy-phenyl)-3-fluoranyl-2-oxidanylidene-6-(trifluoromethyl)indole-1-carboxylate

Systemtic Name: 2-phosphonooxypropyl (3S)-3-(5-chloranyl-2-methoxy-phenyl)-3-fluoranyl-2-oxidanylidene-6-(trifluoromethyl)indole-1-carboxylate Openeye Name: 2-phosphonooxypropyl (3S)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indoline-1-carboxylate CAS Name: (3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)-1-indolecarboxylic acid 2-phosphonooxypropyl ester IUPAC Name: 2-phosphonooxypropyl (3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indole-1-carboxylate Traditional Name: (3S)-3-(5-chloro-2-methoxy-phenyl)-3-fluoro-2-keto-6-(trifluoromethyl)indoline-1-carboxylic acid 2-phosphonooxypropyl ester Formula: C20H17ClF4NO8P MolecularWeight: 541.771254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1C2=C(C=CC(=C2)C(F)(F)F)C(C1=O)(C3=C(C=CC(=C3)Cl)OC)F)OP(=O)(O)O

Isomeric SMILES

CC(COC(=O)N1C2=C(C=CC(=C2)C(F)(F)F)[C@@](C1=O)(C3=C(C=CC(=C3)Cl)OC)F)OP(=O)(O)O

InChI

InChI=1S/C20H17ClF4NO8P/c1-10(34-35(29,30)31)9-33-18(28)26-15-7-11(20(23,24)25)3-5-13(15)19(22,17(26)27)14-8-12(21)4-6-16(14)32-2/h3-8,10H,9H2,1-2H3,(H2,29,30,31)/t10?,19-/m0/s1