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

Systemtic Name: [2-but-1-ynyl-3-fluoranyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-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-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] ester Formula: C29H31FO2 MolecularWeight: 430.553643

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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#CCC

Isomeric SMILES

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

InChI

InChI=1S/C29H31FO2/c1-3-5-10-23-15-18-25(19-16-23)29(31)32-27-21-20-24(28(30)26(27)13-6-4-2)17-14-22-11-8-7-9-12-22/h7-9,11-12,20-21,23,25H,3-5,10,15-16,18-19H2,1-2H3