2-[(1R)-3,3-dimethyl-1-phenyl-2-benzofuran-1-yl]ethanoic acid

Systemtic Name: 2-[(1R)-3,3-dimethyl-1-phenyl-2-benzofuran-1-yl]ethanoic acid Openeye Name: 2-[(1R)-3,3-dimethyl-1-phenyl-isobenzofuran-1-yl]acetic acid CAS Name: 2-[(1R)-3,3-dimethyl-1-phenyl-1-isobenzofuranyl]acetic acid IUPAC Name: 2-[(1R)-3,3-dimethyl-1-phenyl-2-benzofuran-1-yl]acetic acid Traditional Name: 2-[(1R)-3,3-dimethyl-1-phenyl-phthalan-1-yl]acetic acid Formula: C18H18O3 MolecularWeight: 282.33372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)(CC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C2=CC=CC=C2[C@@](O1)(CC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18O3/c1-17(2)14-10-6-7-11-15(14)18(21-17,12-16(19)20)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,19,20)/t18-/m1/s1