(2S)-2-(4-methoxy-3-methyl-phenyl)-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(4-methoxy-3-methyl-phenyl)-3-methyl-butanoic acid Openeye Name: (2S)-2-(4-methoxy-3-methyl-phenyl)-3-methyl-butanoic acid CAS Name: (2S)-2-(4-methoxy-3-methylphenyl)-3-methylbutanoic acid IUPAC Name: (2S)-2-(4-methoxy-3-methylphenyl)-3-methylbutanoic acid Traditional Name: (2S)-2-(4-methoxy-3-methyl-phenyl)-3-methyl-butyric acid Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(C)C)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](C(C)C)C(=O)O)OC

InChI

InChI=1S/C13H18O3/c1-8(2)12(13(14)15)10-5-6-11(16-4)9(3)7-10/h5-8,12H,1-4H3,(H,14,15)/t12-/m0/s1