ethyl (1S,2S)-2-(5-oxidanyl-4,7-diphenyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-(5-oxidanyl-4,7-diphenyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-(5-hydroxy-4,7-diphenyl-2,3-dihydrobenzofuran-6-yl)cyclopropanecarboxylate CAS Name: (1S,2S)-2-(5-hydroxy-4,7-diphenyl-2,3-dihydrobenzofuran-6-yl)-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-(5-hydroxy-4,7-diphenyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(5-hydroxy-4,7-diphenyl-coumaran-6-yl)cyclopropanecarboxylic acid ethyl ester Formula: C26H24O4 MolecularWeight: 400.46636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C2=C(C3=C(CCO3)C(=C2O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1C2=C(C3=C(CCO3)C(=C2O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24O4/c1-2-29-26(28)20-15-19(20)23-22(17-11-7-4-8-12-17)25-18(13-14-30-25)21(24(23)27)16-9-5-3-6-10-16/h3-12,19-20,27H,2,13-15H2,1H3/t19-,20-/m0/s1