[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl] ethanoate

Systemtic Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl] ethanoate Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl] acetate CAS Name: acetic acid [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl] ester IUPAC Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl] acetate Traditional Name: acetic acid [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-13(2)18(12-19,9-6-10-23-14(3)20)15-7-8-16(21-4)17(11-15)22-5/h7-8,11,13H,6,9-10H2,1-5H3