2-(2-hydroxyethyl)-2-(3-methoxyphenyl)-4-oxidanyl-butanenitrile

Systemtic Name: 2-(2-hydroxyethyl)-2-(3-methoxyphenyl)-4-oxidanyl-butanenitrile Openeye Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-methoxyphenyl)butanenitrile CAS Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-methoxyphenyl)butanenitrile IUPAC Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-methoxyphenyl)butanenitrile Traditional Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-methoxyphenyl)butyronitrile Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCO)(CCO)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(CCO)(CCO)C#N

InChI

InChI=1S/C13H17NO3/c1-17-12-4-2-3-11(9-12)13(10-14,5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3