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

Systemtic Name: hexyl 2-(2-methoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexyl 2-(2-methoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-methoxyphenyl)isoindoline-5-carboxylic acid hexyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3OC

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H23NO5/c1-3-4-5-8-13-28-22(26)15-11-12-16-17(14-15)21(25)23(20(16)24)18-9-6-7-10-19(18)27-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3