[2-but-1-ynyl-3-fluoranyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [2-but-1-ynyl-3-fluoranyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] ester Formula: C28H29FO2 MolecularWeight: 416.527063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CCC

Isomeric SMILES

CCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CCC

InChI

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