[3-fluoranyl-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [3-fluoranyl-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynylphenyl] ester IUPAC Name: [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynylphenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] ester Formula: C28H29FO2 MolecularWeight: 416.527063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CC

InChI

InChI=1S/C28H29FO2/c1-3-5-10-22-14-17-24(18-15-22)28(30)31-26-20-19-23(27(29)25(26)9-4-2)16-13-21-11-7-6-8-12-21/h6-8,11-12,19-20,22,24H,3,5,10,14-15,17-18H2,1-2H3