[(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate

Systemtic Name: [(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R)-1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate CAS Name: 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-[[(2R)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate Traditional Name: 3-[3-keto-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-[[(1R)-1-benzyl-2-(2-hydroxyethylamino)-2-keto-ethyl]-methyl-carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C42H53F3N2O9 MolecularWeight: 786.87343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)OCC(F)(F)F)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)NCCO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)OCC(F)(F)F)C(=O)N(C)[C@H](CC4=CC=CC=C4)C(=O)NCCO)CCCCC

InChI

InChI=1S/C42H53F3N2O9/c1-4-6-11-20-41(21-12-7-5-2)55-35-27-32(39(51)47(3)33(38(50)46-22-23-48)25-29-14-9-8-10-15-29)26-34(37(35)56-41)54-40(52)31-17-13-16-30(24-31)18-19-36(49)53-28-42(43,44)45/h8-10,13-19,24,27,33-35,37,48H,4-7,11-12,20-23,25-26,28H2,1-3H3,(H,46,50)/t33-,34-,35-,37+/m1/s1