tert-butyl 4-[3-[bromanyl(methoxy)methyl]-4-cyano-5-ethoxy-5-oxidanylidene-pentyl]benzoate

Systemtic Name: tert-butyl 4-[3-[bromanyl(methoxy)methyl]-4-cyano-5-ethoxy-5-oxidanylidene-pentyl]benzoate Openeye Name: tert-butyl 4-[3-[bromo(methoxy)methyl]-4-cyano-5-ethoxy-5-oxo-pentyl]benzoate CAS Name: 4-[3-[bromo(methoxy)methyl]-4-cyano-5-ethoxy-5-oxopentyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[bromo(methoxy)methyl]-4-cyano-5-ethoxy-5-oxopentyl]benzoate Traditional Name: 4-[3-[bromo(methoxy)methyl]-4-cyano-5-ethoxy-5-keto-pentyl]benzoic acid tert-butyl ester Formula: C21H28BrNO5 MolecularWeight: 454.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(OC)Br

Isomeric SMILES

CCOC(=O)C(C#N)C(CCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(OC)Br

InChI

InChI=1S/C21H28BrNO5/c1-6-27-20(25)17(13-23)16(18(22)26-5)12-9-14-7-10-15(11-8-14)19(24)28-21(2,3)4/h7-8,10-11,16-18H,6,9,12H2,1-5H3