2-[[3-cyano-4-(oxiran-2-ylmethoxy)phenyl]methyl]butanoate

Systemtic Name: 2-[[3-cyano-4-(oxiran-2-ylmethoxy)phenyl]methyl]butanoate Openeye Name: 2-[[3-cyano-4-(oxiran-2-ylmethoxy)phenyl]methyl]butanoate CAS Name: 2-[[3-cyano-4-(2-oxiranylmethoxy)phenyl]methyl]butanoate IUPAC Name: 2-[[3-cyano-4-(oxiran-2-ylmethoxy)phenyl]methyl]butanoate Traditional Name: 2-(3-cyano-4-glycidoxy-benzyl)butyrate Formula: C15H16NO4- MolecularWeight: 274.29184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)OCC2CO2)C#N)C(=O)[O-]

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)OCC2CO2)C#N)C(=O)[O-]

InChI

InChI=1S/C15H17NO4/c1-2-11(15(17)18)5-10-3-4-14(12(6-10)7-16)20-9-13-8-19-13/h3-4,6,11,13H,2,5,8-9H2,1H3,(H,17,18)/p-1