[2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: [2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C23H20F2N2O7 MolecularWeight: 474.410906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H20F2N2O7/c1-12(2)9-16(27-20(29)14-5-3-4-6-15(14)21(27)30)22(31)32-11-19(28)26-13-7-8-17-18(10-13)34-23(24,25)33-17/h3-8,10,12,16H,9,11H2,1-2H3,(H,26,28)