hexyl 2-(4-hexoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: hexyl 2-(4-hexoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(4-hexoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[hexoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(4-hexoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-hexoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid hexyl ester Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCCCC

InChI

InChI=1S/C28H33NO6/c1-3-5-7-9-17-34-27(32)20-11-14-22(15-12-20)29-25(30)23-16-13-21(19-24(23)26(29)31)28(33)35-18-10-8-6-4-2/h11-16,19H,3-10,17-18H2,1-2H3