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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H20BrNO5/c1-2-3-9-23-19(24)17-8-7-14(12-18(17)20(23)25)21(26)28-11-10-27-16-6-4-5-15(22)13-16/h4-8,12-13H,2-3,9-11H2,1H3