4-methylpentyl 4-cyanobenzoate

Systemtic Name: 4-methylpentyl 4-cyanobenzoate Openeye Name: isohexyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid isohexyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H17NO2/c1-11(2)4-3-9-17-14(16)13-7-5-12(10-15)6-8-13/h5-8,11H,3-4,9H2,1-2H3