(2S)-2-(2,6-dimethylcyclohexyl)oxy-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(2,6-dimethylcyclohexyl)oxy-3-phenyl-propanoic acid Openeye Name: (2S)-2-(2,6-dimethylcyclohexoxy)-3-phenyl-propanoic acid CAS Name: (2S)-2-(2,6-dimethylcyclohexyl)oxy-3-phenylpropanoic acid IUPAC Name: (2S)-2-(2,6-dimethylcyclohexyl)oxy-3-phenylpropanoic acid Traditional Name: (2S)-2-(2,6-dimethylcyclohexoxy)-3-phenyl-propionic acid Formula: C17H24O3 MolecularWeight: 276.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1OC(CC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1CCCC(C1O[C@@H](CC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C17H24O3/c1-12-7-6-8-13(2)16(12)20-15(17(18)19)11-14-9-4-3-5-10-14/h3-5,9-10,12-13,15-16H,6-8,11H2,1-2H3,(H,18,19)/t12?,13?,15-,16?/m0/s1