methyl 2-(4-cyano-5-ethoxy-5-oxidanylidene-pentyl)benzoate

Systemtic Name: methyl 2-(4-cyano-5-ethoxy-5-oxidanylidene-pentyl)benzoate Openeye Name: methyl 2-(4-cyano-5-ethoxy-5-oxo-pentyl)benzoate CAS Name: 2-(4-cyano-5-ethoxy-5-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-cyano-5-ethoxy-5-oxopentyl)benzoate Traditional Name: 2-(4-cyano-5-ethoxy-5-keto-pentyl)benzoic acid methyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=CC=CC=C1C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)C(CCCC1=CC=CC=C1C(=O)OC)C#N

InChI

InChI=1S/C16H19NO4/c1-3-21-15(18)13(11-17)9-6-8-12-7-4-5-10-14(12)16(19)20-2/h4-5,7,10,13H,3,6,8-9H2,1-2H3