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

Systemtic Name: 3-[3-(2-ethylbutoxy)-4-methoxy-phenyl]-3-oxidanyl-propanenitrile Openeye Name: 3-[3-(2-ethylbutoxy)-4-methoxy-phenyl]-3-hydroxy-propanenitrile CAS Name: 3-[3-(2-ethylbutoxy)-4-methoxyphenyl]-3-hydroxypropanenitrile IUPAC Name: 3-[3-(2-ethylbutoxy)-4-methoxyphenyl]-3-hydroxypropanenitrile Traditional Name: 3-[3-(2-ethylbutoxy)-4-methoxy-phenyl]-3-hydroxy-propionitrile Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-12(5-2)11-20-16-10-13(14(18)8-9-17)6-7-15(16)19-3/h6-7,10,12,14,18H,4-5,8,11H2,1-3H3