[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C5=CC=CC=C5O4)COC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C5=CC=CC=C5O4)COC6=CC=CC=C6

InChI

InChI=1S/C28H28O5/c29-25(28-13-18-10-19(14-28)12-20(11-18)15-28)17-32-27(30)26-23(16-31-21-6-2-1-3-7-21)22-8-4-5-9-24(22)33-26/h1-9,18-20H,10-17H2