[(1S)-2-oxidanylidenecyclohexyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

InChI

InChI=1S/C22H20O5/c23-18-11-5-7-13-20(18)27-22(24)21-17(14-25-15-8-2-1-3-9-15)16-10-4-6-12-19(16)26-21/h1-4,6,8-10,12,20H,5,7,11,13-14H2/t20-/m0/s1