(3aR,5S,7aR)-2-[3-[2-(4-fluorophenyl)-2-oxidanylidene-ethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: (3aR,5S,7aR)-2-[3-[2-(4-fluorophenyl)-2-oxidanylidene-ethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: (3aR,5S,7aR)-2-[3-[2-(4-fluorophenyl)-2-oxo-ethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: (3aR,5S,7aR)-2-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (3aR,5S,7aR)-2-[3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: (3aR,5S,7aR)-2-[3-[2-(4-fluorophenyl)-2-keto-ethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C23H22FNO4 MolecularWeight: 395.423483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FNO4/c1-14-5-10-19-20(11-14)23(28)25(22(19)27)17-3-2-4-18(12-17)29-13-21(26)15-6-8-16(24)9-7-15/h2-4,6-9,12,14,19-20H,5,10-11,13H2,1H3/t14-,19+,20+/m0/s1