2-(4-phenylmethoxyphenyl)ethynyl 3-(1-adamantyl)benzoate

Systemtic Name: 2-(4-phenylmethoxyphenyl)ethynyl 3-(1-adamantyl)benzoate Openeye Name: 2-(4-benzyloxyphenyl)ethynyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid 2-(4-phenylmethoxyphenyl)ethynyl ester IUPAC Name: 2-(4-phenylmethoxyphenyl)ethynyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid 2-(4-benzoxyphenyl)ethynyl ester Formula: C32H30O3 MolecularWeight: 462.5788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)OC#CC5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)OC#CC5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H30O3/c33-31(34-14-13-23-9-11-30(12-10-23)35-22-24-5-2-1-3-6-24)28-7-4-8-29(18-28)32-19-25-15-26(20-32)17-27(16-25)21-32/h1-12,18,25-27H,15-17,19-22H2