2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methyl-butanoate

Systemtic Name: 2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methyl-butanoate Openeye Name: [1-(4-hydroxyphenyl)-1-methyl-propyl] 2-cyano-2-methyl-butanoate CAS Name: 2-cyano-2-methylbutanoic acid 2-(4-hydroxyphenyl)butan-2-yl ester IUPAC Name: 2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate Traditional Name: 2-cyano-2-methyl-butyric acid [1-(4-hydroxyphenyl)-1-methyl-propyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-5-15(3,11-17)14(19)20-16(4,6-2)12-7-9-13(18)10-8-12/h7-10,18H,5-6H2,1-4H3