methyl 2-(cyanomethyl)-3-phenyl-propanoate

Systemtic Name: methyl 2-(cyanomethyl)-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-cyano-propanoate CAS Name: 2-(cyanomethyl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-cyanopropanoate Traditional Name: 2-benzyl-3-cyano-propionic acid methyl ester Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#N)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CC#N)CC1=CC=CC=C1

InChI

InChI=1S/C12H13NO2/c1-15-12(14)11(7-8-13)9-10-5-3-2-4-6-10/h2-6,11H,7,9H2,1H3