[7-acetyloxy-2-[3-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]propyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl] ethanoate

Systemtic Name: [7-acetyloxy-2-[3-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]propyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl] ethanoate Openeye Name: [7-acetoxy-2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate CAS Name: acetic acid [7-acetyloxy-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] ester IUPAC Name: [7-acetyloxy-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate Traditional Name: acetic acid [7-acetoxy-2-[3-[4-(5-fluoro-2-isopropoxy-phenyl)piperazino]propyl]-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-4-yl] ester Formula: C28H36FN3O7 MolecularWeight: 545.599743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4C(C=CC(C4C3=O)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCN3C(=O)C4C(C=CC(C4C3=O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H36FN3O7/c1-17(2)37-22-7-6-20(29)16-21(22)31-14-12-30(13-15-31)10-5-11-32-27(35)25-23(38-18(3)33)8-9-24(39-19(4)34)26(25)28(32)36/h6-9,16-17,23-26H,5,10-15H2,1-4H3