ethyl 3-[(4-fluorophenyl)methyl]-4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]butanoate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-4-oxidanylidene-4-[4-(2-phenylethynyl)phenyl]butanoate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoate CAS Name: 3-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-4-oxo-4-[4-(2-phenylethynyl)phenyl]butanoate Traditional Name: 3-(4-fluorobenzyl)-4-keto-4-[4-(2-phenylethynyl)phenyl]butyric acid ethyl ester Formula: C27H23FO3 MolecularWeight: 414.468123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(CC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H23FO3/c1-2-31-26(29)19-24(18-22-12-16-25(28)17-13-22)27(30)23-14-10-21(11-15-23)9-8-20-6-4-3-5-7-20/h3-7,10-17,24H,2,18-19H2,1H3