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

Systemtic Name: methyl 2-(4-octoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: methyl 2-(4-octoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[octoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-octoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-octoxycarbonylphenyl)isoindoline-5-carboxylic acid methyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H27NO6/c1-3-4-5-6-7-8-15-32-25(30)17-9-12-19(13-10-17)26-22(27)20-14-11-18(24(29)31-2)16-21(20)23(26)28/h9-14,16H,3-8,15H2,1-2H3