[(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 4-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate CAS Name: 4-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[(2R,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester IUPAC Name: [(3'aS,4'R,7'aR)-6'-[[(2R,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate Traditional Name: 4-[3-keto-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C34H35F3N2O10 MolecularWeight: 688.64431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCCO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OCC(F)(F)F)OC4(O2)CC5=CC=CC=C5C4)O

Isomeric SMILES

C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OCC(F)(F)F)OC4(O2)CC5=CC=CC=C5C4)O

InChI

InChI=1S/C34H35F3N2O10/c1-19(41)28(31(44)38-12-13-40)39-30(43)24-14-25(29-26(15-24)48-33(49-29)16-22-4-2-3-5-23(22)17-33)47-32(45)21-9-6-20(7-10-21)8-11-27(42)46-18-34(35,36)37/h2-11,15,19,25-26,28-29,40-41H,12-14,16-18H2,1H3,(H,38,44)(H,39,43)/t19-,25+,26+,28+,29-/m0/s1