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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)C)F

Isomeric SMILES

CC#CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)C)F

InChI

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