(3,3-dimethyl-2-oxidanylidene-butyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

InChI

InChI=1S/C22H22O5/c1-22(2,3)19(23)14-26-21(24)20-17(13-25-15-9-5-4-6-10-15)16-11-7-8-12-18(16)27-20/h4-12H,13-14H2,1-3H3