[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-furanylmethyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-furfuryl)-1,3-diketo-isoindoline-5-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CO3

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CO3

InChI

InChI=1S/C21H22N2O6/c1-13(2)7-8-22-18(24)12-29-21(27)14-5-6-16-17(10-14)20(26)23(19(16)25)11-15-4-3-9-28-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,22,24)