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

Systemtic Name: [3-fluoranyl-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-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-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [3-fluoro-4-(2-phenylethynyl)-2-prop-1-ynyl-phenyl] ester Formula: C29H31FO2 MolecularWeight: 430.553643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CC

InChI

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