3-cyano-4-(3-methoxyphenyl)-3-methyl-hexanoic acid

Systemtic Name: 3-cyano-4-(3-methoxyphenyl)-3-methyl-hexanoic acid Openeye Name: 3-cyano-4-(3-methoxyphenyl)-3-methyl-hexanoic acid CAS Name: 3-cyano-4-(3-methoxyphenyl)-3-methylhexanoic acid IUPAC Name: 3-cyano-4-(3-methoxyphenyl)-3-methylhexanoic acid Traditional Name: 3-cyano-4-(3-methoxyphenyl)-3-methyl-hexanoic acid Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-4-13(15(2,10-16)9-14(17)18)11-6-5-7-12(8-11)19-3/h5-8,13H,4,9H2,1-3H3,(H,17,18)