2-(2-cyano-2-methyl-pentoxy)benzoate

Systemtic Name: 2-(2-cyano-2-methyl-pentoxy)benzoate Openeye Name: 2-(2-cyano-2-methyl-pentoxy)benzoate CAS Name: 2-(2-cyano-2-methylpentoxy)benzoate IUPAC Name: 2-(2-cyano-2-methylpentoxy)benzoate Traditional Name: 2-(2-cyano-2-methyl-pentoxy)benzoate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(COC1=CC=CC=C1C(=O)[O-])C#N

Isomeric SMILES

CCCC(C)(COC1=CC=CC=C1C(=O)[O-])C#N

InChI

InChI=1S/C14H17NO3/c1-3-8-14(2,9-15)10-18-12-7-5-4-6-11(12)13(16)17/h4-7H,3,8,10H2,1-2H3,(H,16,17)/p-1