tert-butyl 4-[4-cyano-3-(dimethoxymethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate

Systemtic Name: tert-butyl 4-[4-cyano-3-(dimethoxymethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate Openeye Name: tert-butyl 4-[4-cyano-3-(dimethoxymethyl)-5-ethoxy-5-oxo-pentyl]benzoate CAS Name: 4-[4-cyano-3-(dimethoxymethyl)-5-ethoxy-5-oxopentyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-3-(dimethoxymethyl)-5-ethoxy-5-oxopentyl]benzoate Traditional Name: 4-[4-cyano-3-(dimethoxymethyl)-5-ethoxy-5-keto-pentyl]benzoic acid tert-butyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-7-28-20(25)18(14-23)17(21(26-5)27-6)13-10-15-8-11-16(12-9-15)19(24)29-22(2,3)4/h8-9,11-12,17-18,21H,7,10,13H2,1-6H3