tert-butyl 4-[4-[bromanyl(methoxy)methyl]-5-cyano-6-ethoxy-6-oxidanylidene-hexyl]benzoate

Systemtic Name: tert-butyl 4-[4-[bromanyl(methoxy)methyl]-5-cyano-6-ethoxy-6-oxidanylidene-hexyl]benzoate Openeye Name: tert-butyl 4-[4-[bromo(methoxy)methyl]-5-cyano-6-ethoxy-6-oxo-hexyl]benzoate CAS Name: 4-[4-[bromo(methoxy)methyl]-5-cyano-6-ethoxy-6-oxohexyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[bromo(methoxy)methyl]-5-cyano-6-ethoxy-6-oxohexyl]benzoate Traditional Name: 4-[4-[bromo(methoxy)methyl]-5-cyano-6-ethoxy-6-keto-hexyl]benzoic acid tert-butyl ester Formula: C22H30BrNO5 MolecularWeight: 468.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CCCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(OC)Br

Isomeric SMILES

CCOC(=O)C(C#N)C(CCCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(OC)Br

InChI

InChI=1S/C22H30BrNO5/c1-6-28-21(26)18(14-24)17(19(23)27-5)9-7-8-15-10-12-16(13-11-15)20(25)29-22(2,3)4/h10-13,17-19H,6-9H2,1-5H3