methyl 3-cyano-5-oxidanyl-3-(phenylmethyl)pentanoate

Systemtic Name: methyl 3-cyano-5-oxidanyl-3-(phenylmethyl)pentanoate Openeye Name: methyl 3-benzyl-3-cyano-5-hydroxy-pentanoate CAS Name: 3-cyano-5-hydroxy-3-(phenylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 3-benzyl-3-cyano-5-hydroxypentanoate Traditional Name: 3-benzyl-3-cyano-5-hydroxy-valeric acid methyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-18-13(17)10-14(11-15,7-8-16)9-12-5-3-2-4-6-12/h2-6,16H,7-10H2,1H3