(4-methoxycarbonylphenyl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21NO6/c1-3-4-11-23-19(24)17-10-9-16(12-18(17)20(23)25)22(27)29-13-14-5-7-15(8-6-14)21(26)28-2/h5-10,12H,3-4,11,13H2,1-2H3