ethyl 4-[2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluoranyl-benzoate

Systemtic Name: ethyl 4-[2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[2-(4,4-dimethyl-1-oxo-tetralin-6-yl)ethynyl]-2-fluoro-benzoate CAS Name: 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[2-(1-keto-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C23H21FO3 MolecularWeight: 364.409443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)CCC3(C)C)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)CCC3(C)C)F

InChI

InChI=1S/C23H21FO3/c1-4-27-22(26)18-10-8-16(14-20(18)24)6-5-15-7-9-17-19(13-15)23(2,3)12-11-21(17)25/h7-10,13-14H,4,11-12H2,1-3H3