ethyl 2-cyano-3-methyl-3-(phenylmethyl)pentanoate

Systemtic Name: ethyl 2-cyano-3-methyl-3-(phenylmethyl)pentanoate Openeye Name: ethyl 3-benzyl-2-cyano-3-methyl-pentanoate CAS Name: 2-cyano-3-methyl-3-(phenylmethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-cyano-3-methylpentanoate Traditional Name: 3-benzyl-2-cyano-3-methyl-valeric acid ethyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=CC=CC=C1)C(C#N)C(=O)OCC

Isomeric SMILES

CCC(C)(CC1=CC=CC=C1)C(C#N)C(=O)OCC

InChI

InChI=1S/C16H21NO2/c1-4-16(3,11-13-9-7-6-8-10-13)14(12-17)15(18)19-5-2/h6-10,14H,4-5,11H2,1-3H3