7-(6-ethyl-4-methanoyl-2-methyl-3-oxidanyl-phenoxy)-2-methyl-heptanenitrile

Systemtic Name: 7-(6-ethyl-4-methanoyl-2-methyl-3-oxidanyl-phenoxy)-2-methyl-heptanenitrile Openeye Name: 7-(6-ethyl-4-formyl-3-hydroxy-2-methyl-phenoxy)-2-methyl-heptanenitrile CAS Name: 7-(6-ethyl-4-formyl-3-hydroxy-2-methylphenoxy)-2-methylheptanenitrile IUPAC Name: 7-(6-ethyl-4-formyl-3-hydroxy-2-methylphenoxy)-2-methylheptanenitrile Traditional Name: 7-(6-ethyl-4-formyl-3-hydroxy-2-methyl-phenoxy)-2-methyl-enanthonitrile Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C=O)O)C)OCCCCCC(C)C#N

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C=O)O)C)OCCCCCC(C)C#N

InChI

InChI=1S/C18H25NO3/c1-4-15-10-16(12-20)17(21)14(3)18(15)22-9-7-5-6-8-13(2)11-19/h10,12-13,21H,4-9H2,1-3H3