2-[4-[5-(3-fluorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[5-(3-fluorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[5-(3-fluorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[5-(3-fluorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[5-(3-fluorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[5-(3-fluorophenyl)pent-4-ynoxy]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H23FO4 MolecularWeight: 370.414023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC#CC2=CC(=CC=C2)F)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC#CC2=CC(=CC=C2)F)OC(C)(C)C(=O)O

InChI

InChI=1S/C22H23FO4/c1-16-14-19(11-12-20(16)27-22(2,3)21(24)25)26-13-6-4-5-8-17-9-7-10-18(23)15-17/h7,9-12,14-15H,4,6,13H2,1-3H3,(H,24,25)