methyl 5-(3-cyano-4-oxidanyl-phenyl)-5-methyl-hexanoate

Systemtic Name: methyl 5-(3-cyano-4-oxidanyl-phenyl)-5-methyl-hexanoate Openeye Name: methyl 5-(3-cyano-4-hydroxy-phenyl)-5-methyl-hexanoate CAS Name: 5-(3-cyano-4-hydroxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3-cyano-4-hydroxyphenyl)-5-methylhexanoate Traditional Name: 5-(3-cyano-4-hydroxy-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-15(2,8-4-5-14(18)19-3)12-6-7-13(17)11(9-12)10-16/h6-7,9,17H,4-5,8H2,1-3H3