(4-phenoxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate

Systemtic Name: (4-phenoxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate Openeye Name: (4-phenoxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)benzoic acid [4-[oxo(phenoxy)methyl]cyclohexyl] ester IUPAC Name: (4-phenoxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate Traditional Name: 4-(2-phenylethynyl)benzoic acid (4-carbophenoxycyclohexyl) ester Formula: C28H24O4 MolecularWeight: 424.48776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1C(=O)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H24O4/c29-27(23-15-13-22(14-16-23)12-11-21-7-3-1-4-8-21)32-26-19-17-24(18-20-26)28(30)31-25-9-5-2-6-10-25/h1-10,13-16,24,26H,17-20H2