2-fluoranyl-4-[2-methyl-4-[(4-methyl-1-phenyl-pent-1-yn-3-yl)oxymethyl]phenyl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[2-methyl-4-[(4-methyl-1-phenyl-pent-1-yn-3-yl)oxymethyl]phenyl]benzoic acid Openeye Name: 2-fluoro-4-[4-[(1-isopropyl-3-phenyl-prop-2-ynoxy)methyl]-2-methyl-phenyl]benzoic acid CAS Name: 2-fluoro-4-[2-methyl-4-[(4-methyl-1-phenylpent-1-yn-3-yl)oxymethyl]phenyl]benzoic acid IUPAC Name: 2-fluoro-4-[2-methyl-4-[(4-methyl-1-phenylpent-1-yn-3-yl)oxymethyl]phenyl]benzoic acid Traditional Name: 2-fluoro-4-[4-[(1-isopropyl-3-phenyl-prop-2-ynoxy)methyl]-2-methyl-phenyl]benzoic acid Formula: C27H25FO3 MolecularWeight: 416.484003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(C#CC2=CC=CC=C2)C(C)C)C3=CC(=C(C=C3)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)COC(C#CC2=CC=CC=C2)C(C)C)C3=CC(=C(C=C3)C(=O)O)F

InChI

InChI=1S/C27H25FO3/c1-18(2)26(14-10-20-7-5-4-6-8-20)31-17-21-9-12-23(19(3)15-21)22-11-13-24(27(29)30)25(28)16-22/h4-9,11-13,15-16,18,26H,17H2,1-3H3,(H,29,30)