[4-cyano-2-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] pentanoate

Systemtic Name: [4-cyano-2-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] pentanoate Openeye Name: [4-cyano-2-(1,1-dimethyl-2-oxo-ethyl)phenyl] pentanoate CAS Name: pentanoic acid [4-cyano-2-(2-methyl-1-oxopropan-2-yl)phenyl] ester IUPAC Name: [4-cyano-2-(2-methyl-1-oxopropan-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-cyano-2-(2-keto-1,1-dimethyl-ethyl)phenyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C#N)C(C)(C)C=O

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)C#N)C(C)(C)C=O

InChI

InChI=1S/C16H19NO3/c1-4-5-6-15(19)20-14-8-7-12(10-17)9-13(14)16(2,3)11-18/h7-9,11H,4-6H2,1-3H3