3-[3-bromanyl-4-(3-fluoranylphenoxy)-2-prop-1-ynyl-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-bromanyl-4-(3-fluoranylphenoxy)-2-prop-1-ynyl-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-bromo-4-(3-fluorophenoxy)-2-prop-1-ynyl-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-bromo-4-(3-fluorophenoxy)-2-prop-1-ynylphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-bromo-4-(3-fluorophenoxy)-2-prop-1-ynylphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-bromo-4-(3-fluorophenoxy)-2-prop-1-ynyl-phenyl]-2-isopropoxy-propionic acid Formula: C21H20BrFO4 MolecularWeight: 435.283503

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC(=C1Br)OC2=CC(=CC=C2)F)CC(C(=O)O)OC(C)C

Isomeric SMILES

CC#CC1=C(C=CC(=C1Br)OC2=CC(=CC=C2)F)CC(C(=O)O)OC(C)C

InChI

InChI=1S/C21H20BrFO4/c1-4-6-17-14(11-19(21(24)25)26-13(2)3)9-10-18(20(17)22)27-16-8-5-7-15(23)12-16/h5,7-10,12-13,19H,11H2,1-3H3,(H,24,25)