(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3R,4R,5R)-5-[(E)-4-(3-chloranylphenoxy)but-2-en-2-yl]-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-fluoranyl-phenyl]-2-methyl-prop-2-enamide

Systemtic Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3R,4R,5R)-5-[(E)-4-(3-chloranylphenoxy)but-2-en-2-yl]-3-methyl-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-fluoranyl-phenyl]-2-methyl-prop-2-enamide Openeye Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3R,4R,5R)-5-[(E)-3-(3-chlorophenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-3-methyl-tetrahydrofuran-2-yl]oxy-3-fluoro-phenyl]-2-methyl-prop-2-enamide CAS Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[[(2S,3R,4R,5R)-5-[(E)-4-(3-chlorophenoxy)but-2-en-2-yl]-3,4-dihydroxy-3-methyl-2-oxolanyl]oxy]-3-fluorophenyl]-2-methyl-2-propenamide IUPAC Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3R,4R,5R)-5-[(E)-4-(3-chlorophenoxy)but-2-en-2-yl]-3,4-dihydroxy-3-methyloxolan-2-yl]oxy-3-fluorophenyl]-2-methylprop-2-enamide Traditional Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3R,4R,5R)-5-[(E)-3-(3-chlorophenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-3-methyl-tetrahydrofuran-2-yl]oxy-3-fluoro-phenyl]-2-methyl-acrylamide Formula: C32H37ClFNO11 MolecularWeight: 666.087683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC(=CC=C1)Cl)C2C(C(C(O2)OC3=C(C=C(C=C3)C=C(C)C(=O)NC4C(C(C5C(C4O)OCO5)O)O)F)(C)O)O

Isomeric SMILES

C/C(=C\COC1=CC(=CC=C1)Cl)/[C@@H]2[C@H]([C@@]([C@@H](O2)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O)F)(C)O)O

InChI

InChI=1S/C32H37ClFNO11/c1-15(9-10-42-19-6-4-5-18(33)13-19)26-29(39)32(3,41)31(46-26)45-21-8-7-17(12-20(21)34)11-16(2)30(40)35-22-23(36)25(38)28-27(24(22)37)43-14-44-28/h4-9,11-13,22-29,31,36-39,41H,10,14H2,1-3H3,(H,35,40)/b15-9+,16-11+/t22-,23+,24-,25-,26-,27+,28-,29-,31-,32-/m1/s1