3-[4-methoxy-3-(2-methylpropoxy)phenyl]-3-oxidanyl-propanenitrile

Systemtic Name: 3-[4-methoxy-3-(2-methylpropoxy)phenyl]-3-oxidanyl-propanenitrile Openeye Name: 3-hydroxy-3-(3-isobutoxy-4-methoxy-phenyl)propanenitrile CAS Name: 3-hydroxy-3-[4-methoxy-3-(2-methylpropoxy)phenyl]propanenitrile IUPAC Name: 3-hydroxy-3-[4-methoxy-3-(2-methylpropoxy)phenyl]propanenitrile Traditional Name: 3-hydroxy-3-(3-isobutoxy-4-methoxy-phenyl)propionitrile Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C(CC#N)O)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)C(CC#N)O)OC

InChI

InChI=1S/C14H19NO3/c1-10(2)9-18-14-8-11(12(16)6-7-15)4-5-13(14)17-3/h4-5,8,10,12,16H,6,9H2,1-3H3