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

Systemtic Name: [3-fluoranyl-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-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-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] ester Formula: C27H27FO2 MolecularWeight: 402.500483

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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#CC

Isomeric SMILES

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

InChI

InChI=1S/C27H27FO2/c1-3-8-20-13-16-23(17-14-20)27(29)30-25-19-18-22(26(28)24(25)9-4-2)15-12-21-10-6-5-7-11-21/h5-7,10-11,18-20,23H,3,8,13-14,16-17H2,1-2H3