[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC(C)C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC(C)C

InChI

InChI=1S/C21H28N2O5/c1-6-21(4,5)22-17(24)12-28-20(27)14-7-8-15-16(11-14)19(26)23(18(15)25)10-9-13(2)3/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,22,24)