(E)-3-[4-[5-[(Z)-4-(4-chloranyl-3-fluoranyl-phenoxy)but-2-en-2-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-N-[4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]prop-2-enamide

Systemtic Name: (E)-3-[4-[5-[(Z)-4-(4-chloranyl-3-fluoranyl-phenoxy)but-2-en-2-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-phenyl]-2-methyl-N-[4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]prop-2-enamide Openeye Name: (E)-3-[4-[5-[(Z)-3-(4-chloro-3-fluoro-phenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-3-[4-[[5-[(Z)-4-(4-chloro-3-fluorophenoxy)but-2-en-2-yl]-3,4-dihydroxy-2-oxolanyl]oxy]-3-hydroxyphenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-3-[4-[5-[(Z)-4-(4-chloro-3-fluorophenoxy)but-2-en-2-yl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-3-[4-[5-[(Z)-3-(4-chloro-3-fluoro-phenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-N-(4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)acrylamide Formula: C31H35ClFNO12 MolecularWeight: 668.060503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C/COC1=CC(=C(C=C1)Cl)F)/C2C(C(C(O2)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)NC4C(C(C5C(C4O)OCO5)O)O)O)O)O

InChI

InChI=1S/C31H35ClFNO12/c1-13(7-8-42-16-4-5-17(32)18(33)11-16)27-25(39)26(40)31(46-27)45-20-6-3-15(10-19(20)35)9-14(2)30(41)34-21-22(36)24(38)29-28(23(21)37)43-12-44-29/h3-7,9-11,21-29,31,35-40H,8,12H2,1-2H3,(H,34,41)/b13-7-,14-9+