phenoxymethyl 2-[6,7-bis(fluoranyl)quinolin-2-yl]-4-ethenyl-3-ethynyl-benzoate

Systemtic Name: phenoxymethyl 2-[6,7-bis(fluoranyl)quinolin-2-yl]-4-ethenyl-3-ethynyl-benzoate Openeye Name: phenoxymethyl 2-(6,7-difluoro-2-quinolyl)-3-ethynyl-4-vinyl-benzoate CAS Name: 2-(6,7-difluoro-2-quinolinyl)-4-ethenyl-3-ethynylbenzoic acid phenoxymethyl ester IUPAC Name: phenoxymethyl 2-(6,7-difluoroquinolin-2-yl)-4-ethenyl-3-ethynylbenzoate Traditional Name: 2-(6,7-difluoro-2-quinolyl)-3-ethynyl-4-vinyl-benzoic acid phenoxymethyl ester Formula: C27H17F2NO3 MolecularWeight: 441.425586

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C(=C(C=C1)C(=O)OCOC2=CC=CC=C2)C3=NC4=CC(=C(C=C4C=C3)F)F)C#C

Isomeric SMILES

C=CC1=C(C(=C(C=C1)C(=O)OCOC2=CC=CC=C2)C3=NC4=CC(=C(C=C4C=C3)F)F)C#C

InChI

InChI=1S/C27H17F2NO3/c1-3-17-10-12-21(27(31)33-16-32-19-8-6-5-7-9-19)26(20(17)4-2)24-13-11-18-14-22(28)23(29)15-25(18)30-24/h2-3,5-15H,1,16H2