ethyl (2S,3R)-7-methyl-3-phenacyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: ethyl (2S,3R)-7-methyl-3-phenacyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: ethyl (2S,3R)-7-methyl-3-phenacyl-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2S,3R)-7-methyl-3-phenacyl-2,3-dihydrobenzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-7-methyl-3-phenacyl-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2S,3R)-7-methyl-3-phenacyl-coumaran-2-carboxylic acid ethyl ester Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(O1)C(=CC=C2)C)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C2=C(O1)C(=CC=C2)C)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O4/c1-3-23-20(22)19-16(12-17(21)14-9-5-4-6-10-14)15-11-7-8-13(2)18(15)24-19/h4-11,16,19H,3,12H2,1-2H3/t16-,19+/m1/s1