(3-methyl-5-oxidanyl-pentyl) 3-cyanobenzoate

Systemtic Name: (3-methyl-5-oxidanyl-pentyl) 3-cyanobenzoate Openeye Name: (5-hydroxy-3-methyl-pentyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (5-hydroxy-3-methylpentyl) ester IUPAC Name: (5-hydroxy-3-methylpentyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (5-hydroxy-3-methyl-pentyl) ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)CCOC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(CCO)CCOC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C14H17NO3/c1-11(5-7-16)6-8-18-14(17)13-4-2-3-12(9-13)10-15/h2-4,9,11,16H,5-8H2,1H3