[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C20H21N3O5/c1-11(2)6-7-23-18(25)14-5-4-13(8-15(14)19(23)26)20(27)28-10-17(24)16(9-21)12(3)22/h4-5,8,11,16,22H,6-7,10H2,1-3H3/t16-/m0/s1