2-[1-[2-methoxy-5-(trifluoromethyloxy)phenyl]carbonyl-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[1-[2-methoxy-5-(trifluoromethyloxy)phenyl]carbonyl-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-[2-methoxy-5-(trifluoromethoxy)benzoyl]-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-[[2-methoxy-5-(trifluoromethoxy)phenyl]-oxomethyl]-3-phenyl-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[1-[2-methoxy-5-(trifluoromethoxy)benzoyl]-3-phenylpyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-[2-methoxy-5-(trifluoromethoxy)benzoyl]-3-phenyl-pyrrolidin-3-yl]ethyl ester Formula: C22H24F3NO6S MolecularWeight: 487.48927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(F)(F)F)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)OC(F)(F)F)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24F3NO6S/c1-30-19-9-8-17(32-22(23,24)25)14-18(19)20(27)26-12-10-21(15-26,11-13-31-33(2,28)29)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3