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

Systemtic Name: [4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[2-(p-tolyl)ethynyl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[2-(4-methylphenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-methylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[2-(p-tolyl)ethynyl]phenyl] ester Formula: C25H28O2 MolecularWeight: 360.48862

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28O2/c1-3-4-20-11-15-23(16-12-20)25(26)27-24-17-13-22(14-18-24)10-9-21-7-5-19(2)6-8-21/h5-8,13-14,17-18,20,23H,3-4,11-12,15-16H2,1-2H3