3-phenoxypropyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 3-phenoxypropyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 3-phenoxypropyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-phenoxypropyl ester IUPAC Name: 3-phenoxypropyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid 3-phenoxypropyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCOC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCOC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O6/c1-17(29)27-19-9-11-20(12-10-19)28-24(30)22-13-8-18(16-23(22)25(28)31)26(32)34-15-5-14-33-21-6-3-2-4-7-21/h2-4,6-13,16H,5,14-15H2,1H3,(H,27,29)