(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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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(O3)C)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C21H21NO7/c1-4-5-8-22-18(23)15-7-6-13(9-17(15)19(22)24)20(25)28-11-14-10-16(12(2)29-14)21(26)27-3/h6-7,9-10H,4-5,8,11H2,1-3H3