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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-13(2)7-9-22-18(24)12-28-21(27)15-5-6-16-17(11-15)20(26)23(19(16)25)10-8-14(3)4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,22,24)