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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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