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

Systemtic Name: [3-fluoranyl-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-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-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [3-fluoro-2-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C30H33FO2 MolecularWeight: 444.580223

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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#CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H33FO2/c1-3-5-8-14-27-28(33-30(32)26-19-16-24(17-20-26)11-6-4-2)22-21-25(29(27)31)18-15-23-12-9-7-10-13-23/h7,9-10,12-13,21-22,24,26H,3-6,11,16-17,19-20H2,1-2H3