ethyl 4-[4-cyano-3-(diethoxymethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-5-26-20(24)17-12-9-16(10-13-17)11-14-18(22(28-7-3)29-8-4)19(15-23)21(25)27-6-2/h9-10,12-13,18-19,22H,5-8,11,14H2,1-4H3