methyl 2-[2-methanoyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: methyl 2-[2-methanoyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[2-formyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-formyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-formyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-(2-formyl-5-methoxy-4-triflyloxy-phenyl)-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C22H22F3NO8S MolecularWeight: 517.47219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2C=O)OS(=O)(=O)C(F)(F)F)OC)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2C=O)OS(=O)(=O)C(F)(F)F)OC)C(=O)OC

InChI

InChI=1S/C22H22F3NO8S/c1-12(2)10-26-20(28)13-5-6-15(17(7-13)21(29)33-4)16-9-18(32-3)19(8-14(16)11-27)34-35(30,31)22(23,24)25/h5-9,11-12H,10H2,1-4H3,(H,26,28)