methyl 2-[2-(cyanomethyl)phenyl]octanoate

Systemtic Name: methyl 2-[2-(cyanomethyl)phenyl]octanoate Openeye Name: methyl 2-[2-(cyanomethyl)phenyl]octanoate CAS Name: 2-[2-(cyanomethyl)phenyl]octanoic acid methyl ester IUPAC Name: methyl 2-[2-(cyanomethyl)phenyl]octanoate Traditional Name: 2-[2-(cyanomethyl)phenyl]caprylic acid methyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=CC=C1CC#N)C(=O)OC

Isomeric SMILES

CCCCCCC(C1=CC=CC=C1CC#N)C(=O)OC

InChI

InChI=1S/C17H23NO2/c1-3-4-5-6-11-16(17(19)20-2)15-10-8-7-9-14(15)12-13-18/h7-10,16H,3-6,11-12H2,1-2H3