(5-methyl-2-propan-2-yl-cyclohexyl) 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(4-fluorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(4-fluorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-fluorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H26FNO4 MolecularWeight: 423.476643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C25H26FNO4/c1-14(2)19-10-4-15(3)12-22(19)31-25(30)16-5-11-20-21(13-16)24(29)27(23(20)28)18-8-6-17(26)7-9-18/h5-9,11,13-15,19,22H,4,10,12H2,1-3H3