5-[3-methyl-2-[4-(2-phenoxyethoxy)phenyl]butan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-methyl-2-[4-(2-phenoxyethoxy)phenyl]butan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[1,2-dimethyl-1-[4-(2-phenoxyethoxy)phenyl]propyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[3-methyl-2-[4-(2-phenoxyethoxy)phenyl]butan-2-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[3-methyl-2-[4-(2-phenoxyethoxy)phenyl]butan-2-yl]benzoic acid Traditional Name: 5-[1,2-dimethyl-1-[4-(2-phenoxyethoxy)phenyl]propyl]-2-hydroxy-benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C1=CC=C(C=C1)OCCOC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)C(C)(C1=CC=C(C=C1)OCCOC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C26H28O5/c1-18(2)26(3,20-11-14-24(27)23(17-20)25(28)29)19-9-12-22(13-10-19)31-16-15-30-21-7-5-4-6-8-21/h4-14,17-18,27H,15-16H2,1-3H3,(H,28,29)