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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C1=CC=C(C=C1)OCCOC2=CC=CC=C2)C3=CC=CC(=C3O)C(=O)O

Isomeric SMILES

CC(C)C(C)(C1=CC=C(C=C1)OCCOC2=CC=CC=C2)C3=CC=CC(=C3O)C(=O)O

InChI

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