[(3S,4S)-4-[2-ethanoyl-1-(ethoxymethyl)imidazol-4-yl]-3,4-bis[[3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy]butyl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(3S,4S)-4-[2-ethanoyl-1-(ethoxymethyl)imidazol-4-yl]-3,4-bis[[3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy]butyl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(3S,4S)-4-[2-acetyl-1-(ethoxymethyl)imidazol-4-yl]-3,4-bis[(3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl)oxy]butyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3S,4S)-4-[2-acetyl-1-(ethoxymethyl)-4-imidazolyl]-3,4-bis(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy)butyl] ester IUPAC Name: [(3S,4S)-4-[2-acetyl-1-(ethoxymethyl)imidazol-4-yl]-3,4-bis[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy]butyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(3S,4S)-4-[2-acetyl-1-(ethoxymethyl)imidazol-4-yl]-3,4-bis[(3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl)oxy]butyl] ester Formula: C42H41F9N2O11 MolecularWeight: 920.767369

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=C(N=C1C(=O)C)C(C(CCOC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

Isomeric SMILES

CCOCN1C=C(N=C1C(=O)C)[C@@H]([C@H](CCOC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

InChI

InChI=1S/C42H41F9N2O11/c1-6-61-25-53-24-30(52-33(53)26(2)54)32(64-36(57)39(60-5,42(49,50)51)29-20-14-9-15-21-29)31(63-35(56)38(59-4,41(46,47)48)28-18-12-8-13-19-28)22-23-62-34(55)37(58-3,40(43,44)45)27-16-10-7-11-17-27/h7-21,24,31-32H,6,22-23,25H2,1-5H3/t31-,32-,37?,38?,39?/m0/s1