methyl 4-(5-cyano-6-ethoxy-6-oxidanylidene-hexyl)benzoate

Systemtic Name: methyl 4-(5-cyano-6-ethoxy-6-oxidanylidene-hexyl)benzoate Openeye Name: methyl 4-(5-cyano-6-ethoxy-6-oxo-hexyl)benzoate CAS Name: 4-(5-cyano-6-ethoxy-6-oxohexyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-cyano-6-ethoxy-6-oxohexyl)benzoate Traditional Name: 4-(5-cyano-6-ethoxy-6-keto-hexyl)benzoic acid methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1=CC=C(C=C1)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)C(CCCCC1=CC=C(C=C1)C(=O)OC)C#N

InChI

InChI=1S/C17H21NO4/c1-3-22-17(20)15(12-18)7-5-4-6-13-8-10-14(11-9-13)16(19)21-2/h8-11,15H,3-7H2,1-2H3