[4-[2-(4-ethylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [4-[2-(4-ethylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[2-(4-ethylphenyl)ethynyl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[2-(4-ethylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-ethylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[2-(4-ethylphenyl)ethynyl]phenyl] ester Formula: C26H30O2 MolecularWeight: 374.5152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O2/c1-3-5-21-12-16-24(17-13-21)26(27)28-25-18-14-23(15-19-25)11-10-22-8-6-20(4-2)7-9-22/h6-9,14-15,18-19,21,24H,3-5,12-13,16-17H2,1-2H3