2-(4-cyanophenoxy)ethyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid 2-(4-cyanophenoxy)ethyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H20N2O6/c1-28-10-2-9-24-20(25)18-8-5-16(13-19(18)21(24)26)22(27)30-12-11-29-17-6-3-15(14-23)4-7-17/h3-8,13H,2,9-12H2,1H3