methyl 2-[2-(cyanomethyl)phenyl]-2-ethyl-hexanoate

Systemtic Name: methyl 2-[2-(cyanomethyl)phenyl]-2-ethyl-hexanoate Openeye Name: methyl 2-[2-(cyanomethyl)phenyl]-2-ethyl-hexanoate CAS Name: 2-[2-(cyanomethyl)phenyl]-2-ethylhexanoic acid methyl ester IUPAC Name: methyl 2-[2-(cyanomethyl)phenyl]-2-ethylhexanoate Traditional Name: 2-[2-(cyanomethyl)phenyl]-2-ethyl-hexanoic acid methyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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