(4-propan-2-yloxycarbonylphenyl) 4-(3-fluoranyl-4-prop-1-ynyl-phenyl)benzoate

Systemtic Name: (4-propan-2-yloxycarbonylphenyl) 4-(3-fluoranyl-4-prop-1-ynyl-phenyl)benzoate Openeye Name: (4-isopropoxycarbonylphenyl) 4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-prop-1-ynylphenyl)benzoic acid [4-[oxo(propan-2-yloxy)methyl]phenyl] ester IUPAC Name: (4-propan-2-yloxycarbonylphenyl) 4-(3-fluoro-4-prop-1-ynylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoic acid (4-isopropoxycarbonylphenyl) ester Formula: C26H21FO4 MolecularWeight: 416.440943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)C)F

Isomeric SMILES

CC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)C)F

InChI

InChI=1S/C26H21FO4/c1-4-5-19-8-11-22(16-24(19)27)18-6-9-20(10-7-18)26(29)31-23-14-12-21(13-15-23)25(28)30-17(2)3/h6-17H,1-3H3