[(3'aS,4'R,7'aR)-6'-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]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-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]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-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]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)-oxomethyl]phenyl]methylamino]-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-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]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-hydroxyethylcarbamoyl)benzyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C38H35F3N2O9 MolecularWeight: 720.68771

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(C=C1C(=O)NCC3=CC=CC(=C3)C(=O)NCCO)OC4(O2)CC5=CC=CC=C5C4)OC(=O)C6=CC=C(C=C6)C=CC(=O)OCC(F)(F)F

Isomeric SMILES

C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCC3=CC=CC(=C3)C(=O)NCCO)OC4(O2)CC5=CC=CC=C5C4)OC(=O)C6=CC=C(C=C6)C=CC(=O)OCC(F)(F)F

InChI

InChI=1S/C38H35F3N2O9/c39-38(40,41)22-49-32(45)13-10-23-8-11-25(12-9-23)36(48)50-30-17-29(35(47)43-21-24-4-3-7-26(16-24)34(46)42-14-15-44)18-31-33(30)52-37(51-31)19-27-5-1-2-6-28(27)20-37/h1-13,16,18,30-31,33,44H,14-15,17,19-22H2,(H,42,46)(H,43,47)/t30-,31-,33+/m1/s1