(phenylmethyl) 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: benzyl 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid benzyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO4/c1-3-13(2)21-18(22)16-10-9-15(11-17(16)19(21)23)20(24)25-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3