[1-[4-(4-fluoranylphenoxy)phenyl]-1-phenyl-prop-2-ynyl] 2,2-dimethylpropanoate

Systemtic Name: [1-[4-(4-fluoranylphenoxy)phenyl]-1-phenyl-prop-2-ynyl] 2,2-dimethylpropanoate Openeye Name: [1-[4-(4-fluorophenoxy)phenyl]-1-phenyl-prop-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[4-(4-fluorophenoxy)phenyl]-1-phenylprop-2-ynyl] ester IUPAC Name: [1-[4-(4-fluorophenoxy)phenyl]-1-phenylprop-2-ynyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-[4-(4-fluorophenoxy)phenyl]-1-phenyl-prop-2-ynyl] ester Formula: C26H23FO3 MolecularWeight: 402.457423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(C#C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)OC(C#C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C26H23FO3/c1-5-26(19-9-7-6-8-10-19,30-24(28)25(2,3)4)20-11-15-22(16-12-20)29-23-17-13-21(27)14-18-23/h1,6-18H,2-4H3