ethyl (E)-2-fluoranyl-3-isoquinolin-7-yl-but-2-enoate

Systemtic Name: ethyl (E)-2-fluoranyl-3-isoquinolin-7-yl-but-2-enoate Openeye Name: ethyl (E)-2-fluoro-3-(7-isoquinolyl)but-2-enoate CAS Name: (E)-2-fluoro-3-(7-isoquinolinyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-fluoro-3-isoquinolin-7-ylbut-2-enoate Traditional Name: (E)-2-fluoro-3-(7-isoquinolyl)but-2-enoic acid ethyl ester Formula: C15H14FNO2 MolecularWeight: 259.275563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=CC2=C(C=C1)C=CN=C2)F

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=CC2=C(C=C1)C=CN=C2)/F

InChI

InChI=1S/C15H14FNO2/c1-3-19-15(18)14(16)10(2)12-5-4-11-6-7-17-9-13(11)8-12/h4-9H,3H2,1-2H3/b14-10+