[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenoxy)ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30O5 MolecularWeight: 434.5241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)COC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)COC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30O5/c28-25(27-13-20-10-21(14-27)12-22(11-20)15-27)17-32-26(29)18-31-24-8-6-23(7-9-24)30-16-19-4-2-1-3-5-19/h1-9,20-22H,10-18H2