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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21NO6/c1-13(2)10-11-23-19(24)17-9-6-15(12-18(17)20(23)25)22(27)29-16-7-4-14(5-8-16)21(26)28-3/h4-9,12-13H,10-11H2,1-3H3