methyl 2-(cyanomethyl)-2-(phenylmethyl)butanoate

Systemtic Name: methyl 2-(cyanomethyl)-2-(phenylmethyl)butanoate Openeye Name: methyl 2-benzyl-2-(cyanomethyl)butanoate CAS Name: 2-(cyanomethyl)-2-(phenylmethyl)butanoic acid methyl ester IUPAC Name: methyl 2-benzyl-2-(cyanomethyl)butanoate Traditional Name: 2-benzyl-2-(cyanomethyl)butyric acid methyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-3-14(9-10-15,13(16)17-2)11-12-7-5-4-6-8-12/h4-8H,3,9,11H2,1-2H3