methyl 4-cyano-3-phenylmethoxy-butanoate

Systemtic Name: methyl 4-cyano-3-phenylmethoxy-butanoate Openeye Name: methyl 3-benzyloxy-4-cyano-butanoate CAS Name: 4-cyano-3-phenylmethoxybutanoic acid methyl ester IUPAC Name: methyl 4-cyano-3-phenylmethoxybutanoate Traditional Name: 3-benzoxy-4-cyano-butyric acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC#N)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(CC#N)OCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO3/c1-16-13(15)9-12(7-8-14)17-10-11-5-3-2-4-6-11/h2-6,12H,7,9-10H2,1H3