methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-m-anisyl-cyclohexanecarboxylic acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC(=O)C(C2)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCC(=O)C(C2)C(=O)OC)C#N

InChI

InChI=1S/C17H19NO4/c1-21-13-5-3-4-12(8-13)9-17(11-18)7-6-15(19)14(10-17)16(20)22-2/h3-5,8,14H,6-7,9-10H2,1-2H3