4-[2-(2-cyano-2-methyl-butanoyl)oxypropan-2-yl]benzoic acid

Systemtic Name: 4-[2-(2-cyano-2-methyl-butanoyl)oxypropan-2-yl]benzoic acid Openeye Name: 4-[1-(2-cyano-2-methyl-butanoyl)oxy-1-methyl-ethyl]benzoic acid CAS Name: 4-[2-(2-cyano-2-methyl-1-oxobutoxy)propan-2-yl]benzoic acid IUPAC Name: 4-[2-(2-cyano-2-methylbutanoyl)oxypropan-2-yl]benzoic acid Traditional Name: 4-[1-(2-cyano-2-methyl-butanoyl)oxy-1-methyl-ethyl]benzoic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-5-16(4,10-17)14(20)21-15(2,3)12-8-6-11(7-9-12)13(18)19/h6-9H,5H2,1-4H3,(H,18,19)