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

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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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)Br

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO6/c1-27-10-2-9-23-19(24)17-8-3-14(13-18(17)20(23)25)21(26)29-12-11-28-16-6-4-15(22)5-7-16/h3-8,13H,2,9-12H2,1H3