[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(phenylmethyl)phenoxy]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(phenylmethyl)phenoxy]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(2-benzylphenoxy)acetate CAS Name: 2-[2-(phenylmethyl)phenoxy]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(2-benzylphenoxy)acetate Traditional Name: 2-(2-benzylphenoxy)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)COC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)COC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C27H30O4/c28-25(27-14-20-10-21(15-27)12-22(11-20)16-27)17-31-26(29)18-30-24-9-5-4-8-23(24)13-19-6-2-1-3-7-19/h1-9,20-22H,10-18H2