methyl 4-cyano-4-(4-methoxy-3-oxidanyl-phenyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-cyano-4-(4-methoxy-3-oxidanyl-phenyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-cyano-4-(3-hydroxy-4-methoxy-phenyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(3-hydroxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-4-(3-hydroxy-4-methoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(3-hydroxy-4-methoxy-phenyl)cyclohexanecarboxylic acid methyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-20-14-4-3-12(9-13(14)18)16(10-17)7-5-11(6-8-16)15(19)21-2/h3-4,9,11,18H,5-8H2,1-2H3