ethyl 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate

Systemtic Name: ethyl 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate Openeye Name: ethyl 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxo-pentyl]benzoate CAS Name: 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxopentyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxopentyl]benzoate Traditional Name: 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-keto-pentyl]benzoic acid ethyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6/c1-5-27-21(28-6-2)15-19(20(16-24)23(26)30-8-4)14-11-17-9-12-18(13-10-17)22(25)29-7-3/h9-10,12-13,19-21H,5-8,11,14-15H2,1-4H3