(3aR,7R,7aS)-2-(3-chloranyl-4-fluoranyl-phenyl)-6-ethenyl-7-(3-ethoxy-4-oxidanyl-phenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione

Systemtic Name: (3aR,7R,7aS)-2-(3-chloranyl-4-fluoranyl-phenyl)-6-ethenyl-7-(3-ethoxy-4-oxidanyl-phenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Openeye Name: (3aR,7R,7aS)-2-(3-chloro-4-fluoro-phenyl)-7-(3-ethoxy-4-hydroxy-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-dione CAS Name: (3aR,7R,7aS)-2-(3-chloro-4-fluorophenyl)-6-ethenyl-7-(3-ethoxy-4-hydroxyphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione IUPAC Name: (3aR,7R,7aS)-2-(3-chloro-4-fluorophenyl)-6-ethenyl-7-(3-ethoxy-4-hydroxyphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Traditional Name: (3aR,7R,7aS)-2-(3-chloro-4-fluoro-phenyl)-7-(3-ethoxy-4-hydroxy-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C25H23ClFNO4 MolecularWeight: 455.905823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=CCC3C2(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)C)C=C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)C)C=C)O

InChI

InChI=1S/C25H23ClFNO4/c1-4-14-6-9-17-23(30)28(16-8-10-19(27)18(26)13-16)24(31)25(17,3)22(14)15-7-11-20(29)21(12-15)32-5-2/h4,6-8,10-13,17,22,29H,1,5,9H2,2-3H3/t17-,22+,25+/m0/s1