methyl 4-[(E)-4-(2-fluoranyl-3-methyl-6-phenyl-phenyl)but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-(2-fluoranyl-3-methyl-6-phenyl-phenyl)but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-(2-fluoro-3-methyl-6-phenyl-phenyl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2-fluoro-3-methyl-6-phenylphenyl)but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-(2-fluoro-3-methyl-6-phenylphenyl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(2-fluoro-3-methyl-6-phenyl-phenyl)but-3-en-1-ynyl]benzoic acid methyl ester Formula: C25H19FO2 MolecularWeight: 370.415563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19FO2/c1-18-12-17-22(20-9-4-3-5-10-20)23(24(18)26)11-7-6-8-19-13-15-21(16-14-19)25(27)28-2/h3-5,7,9-17H,1-2H3/b11-7+