[(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]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'-[[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]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-[[3-(2-hydroxyethylamino)-3-oxo-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'-[[[3-(2-hydroxyethylamino)-3-oxopropyl]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'-[[3-(2-hydroxyethylamino)-3-oxopropyl]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-[[3-(2-hydroxyethylamino)-3-keto-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C33H33F3N2O9 MolecularWeight: 658.61833

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(C=C1C(=O)NCCC(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=C(C=C5)C=CC(=O)OCC(F)(F)F

Isomeric SMILES

C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCC(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=C(C=C5)C=CC(=O)OCC(F)(F)F

InChI

InChI=1S/C33H33F3N2O9/c34-33(35,36)19-44-28(41)10-7-20-5-8-21(9-6-20)31(43)45-25-15-24(30(42)38-12-11-27(40)37-13-14-39)16-26-29(25)47-32(46-26)17-22-3-1-2-4-23(22)18-32/h1-10,16,25-26,29,39H,11-15,17-19H2,(H,37,40)(H,38,42)/t25-,26-,29+/m1/s1