methyl 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxidanylidene-hexanoate

Systemtic Name: methyl 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxidanylidene-hexanoate Openeye Name: methyl 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxo-hexanoate CAS Name: 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxohexanoic acid methyl ester IUPAC Name: methyl 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxohexanoate Traditional Name: 6-cyano-6-(3,5-dimethoxyphenyl)-5-keto-hexanoic acid methyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C#N)C(=O)CCCC(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(C#N)C(=O)CCCC(=O)OC)OC

InChI

InChI=1S/C16H19NO5/c1-20-12-7-11(8-13(9-12)21-2)14(10-17)15(18)5-4-6-16(19)22-3/h7-9,14H,4-6H2,1-3H3