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

Systemtic Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-fluoranyl-4-prop-1-ynyl-benzoate Openeye Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-fluoro-4-prop-1-ynyl-benzoate CAS Name: 3-fluoro-4-prop-1-ynylbenzoic acid [4-[4-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-fluoro-4-prop-1-ynylbenzoate Traditional Name: 3-fluoro-4-prop-1-ynyl-benzoic acid [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C28H25FO4 MolecularWeight: 444.494103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25FO4/c1-4-6-22-9-12-24(17-26(22)29)28(31)33-25-15-13-21(14-16-25)20-7-10-23(11-8-20)27(30)32-18-19(3)5-2/h7-17,19H,5,18H2,1-3H3