phenyl 4-[2-(4-methylcyclohexyl)ethynyl]benzoate

Systemtic Name: phenyl 4-[2-(4-methylcyclohexyl)ethynyl]benzoate Openeye Name: phenyl 4-[2-(4-methylcyclohexyl)ethynyl]benzoate CAS Name: 4-[2-(4-methylcyclohexyl)ethynyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[2-(4-methylcyclohexyl)ethynyl]benzoate Traditional Name: 4-[2-(4-methylcyclohexyl)ethynyl]benzoic acid phenyl ester Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1CCC(CC1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H22O2/c1-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)22(23)24-21-5-3-2-4-6-21/h2-6,13-18H,7-10H2,1H3