(2S)-4-methoxy-2-(2-oxidanylpropan-2-yl)-6-phenethyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: (2S)-4-methoxy-2-(2-oxidanylpropan-2-yl)-6-phenethyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: (2S)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-6-phenethyl-2,3-dihydrobenzofuran-7-carboxylate CAS Name: (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-6-phenethyl-2,3-dihydrobenzofuran-7-carboxylate IUPAC Name: (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-6-phenethyl-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: (2S)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-6-phenethyl-coumaran-7-carboxylate Formula: C21H23O5- MolecularWeight: 355.40432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC2=C(C=C(C(=C2O1)C(=O)[O-])CCC3=CC=CC=C3)OC)O

Isomeric SMILES

CC(C)([C@@H]1CC2=C(C=C(C(=C2O1)C(=O)[O-])CCC3=CC=CC=C3)OC)O

InChI

InChI=1S/C21H24O5/c1-21(2,24)17-12-15-16(25-3)11-14(18(20(22)23)19(15)26-17)10-9-13-7-5-4-6-8-13/h4-8,11,17,24H,9-10,12H2,1-3H3,(H,22,23)/p-1/t17-/m0/s1