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

Systemtic Name: hexyl 1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindole-5-carboxylate Openeye Name: hexyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolecarboxylic acid hexyl ester IUPAC Name: hexyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-phenoxyphenyl)isoindoline-5-carboxylic acid hexyl ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H25NO5/c1-2-3-4-8-17-32-27(31)19-11-16-23-24(18-19)26(30)28(25(23)29)20-12-14-22(15-13-20)33-21-9-6-5-7-10-21/h5-7,9-16,18H,2-4,8,17H2,1H3