4-(2-cyano-2-methyl-pentoxy)benzoic acid

Systemtic Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid Openeye Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid CAS Name: 4-(2-cyano-2-methylpentoxy)benzoic acid IUPAC Name: 4-(2-cyano-2-methylpentoxy)benzoic acid Traditional Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(COC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCC(C)(COC1=CC=C(C=C1)C(=O)O)C#N

InChI

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