methyl (2S,3S)-3-methyl-5-oxidanyl-2-phenyl-2,3-dihydro-1-benzofuran-4-carboxylate

Systemtic Name: methyl (2S,3S)-3-methyl-5-oxidanyl-2-phenyl-2,3-dihydro-1-benzofuran-4-carboxylate Openeye Name: methyl (2S,3S)-5-hydroxy-3-methyl-2-phenyl-2,3-dihydrobenzofuran-4-carboxylate CAS Name: (2S,3S)-5-hydroxy-3-methyl-2-phenyl-2,3-dihydrobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-5-hydroxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-4-carboxylate Traditional Name: (2S,3S)-5-hydroxy-3-methyl-2-phenyl-coumaran-4-carboxylic acid methyl ester Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C(=C(C=C2)O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](OC2=C1C(=C(C=C2)O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H16O4/c1-10-14-13(9-8-12(18)15(14)17(19)20-2)21-16(10)11-6-4-3-5-7-11/h3-10,16,18H,1-2H3/t10-,16-/m0/s1