methyl 4-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(diphenylphosphorylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(diphenylphosphorylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(diphenylphosphorylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(diphenylphosphorylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(diphenylphosphorylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(diphenylphosphorylamino)-4-methyl-2-[4-(trifluoromethyl)phenyl]pent-2-enyl]benzoic acid methyl ester Formula: C49H49F3NO4PSi MolecularWeight: 831.972131

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C=C(C3=CC=C(C=C3)C(F)(F)F)C(C4=CC=C(C=C4)C(=O)OC)NP(=O)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)/C=C(\C3=CC=C(C=C3)C(F)(F)F)/C(C4=CC=C(C=C4)C(=O)OC)NP(=O)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C49H49F3NO4PSi/c1-36(35-57-59(48(2,3)4,43-22-14-8-15-23-43)44-24-16-9-17-25-44)34-45(37-30-32-40(33-31-37)49(50,51)52)46(38-26-28-39(29-27-38)47(54)56-5)53-58(55,41-18-10-6-11-19-41)42-20-12-7-13-21-42/h6-34,36,46H,35H2,1-5H3,(H,53,55)/b45-34+/t36-,46?/m1/s1