[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O4/c27-24(26-13-19-10-20(14-26)12-21(11-19)15-26)17-30-25(28)22-6-8-23(9-7-22)29-16-18-4-2-1-3-5-18/h1-9,19-21H,10-17H2