ethyl 4-[(4-fluorophenyl)methyl]-2-(2-phenylethynyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methyl]-2-(2-phenylethynyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)methyl]-2-(2-phenylethynyl)quinoline-3-carboxylate CAS Name: 4-[(4-fluorophenyl)methyl]-2-(2-phenylethynyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methyl]-2-(2-phenylethynyl)quinoline-3-carboxylate Traditional Name: 4-(4-fluorobenzyl)-2-(2-phenylethynyl)quinoline-3-carboxylic acid ethyl ester Formula: C27H20FNO2 MolecularWeight: 409.451603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C#CC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C#CC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H20FNO2/c1-2-31-27(30)26-23(18-20-12-15-21(28)16-13-20)22-10-6-7-11-24(22)29-25(26)17-14-19-8-4-3-5-9-19/h3-13,15-16H,2,18H2,1H3