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

Systemtic Name: [3-fluoranyl-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [3-fluoro-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-fluoro-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [3-fluoro-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C29H31FO2 MolecularWeight: 430.553643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=CC(=C1F)C#CC2=CC=CC=C2)OC(=O)C3CCC(CC3)CCC

Isomeric SMILES

CCCC#CC1=C(C=CC(=C1F)C#CC2=CC=CC=C2)OC(=O)C3CCC(CC3)CCC

InChI

InChI=1S/C29H31FO2/c1-3-5-7-13-26-27(32-29(31)25-18-15-22(10-4-2)16-19-25)21-20-24(28(26)30)17-14-23-11-8-6-9-12-23/h6,8-9,11-12,20-22,25H,3-5,10,15-16,18-19H2,1-2H3