(4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl) 3-iodanylpropanoate

Systemtic Name: (4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl) 3-iodanylpropanoate Openeye Name: (4,6,7-trimethyl-3-phenyl-2,3-dihydrobenzofuran-5-yl) 3-iodopropanoate CAS Name: 3-iodopropanoic acid (4,6,7-trimethyl-3-phenyl-2,3-dihydrobenzofuran-5-yl) ester IUPAC Name: (4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl) 3-iodopropanoate Traditional Name: 3-iodopropionic acid (4,6,7-trimethyl-3-phenyl-coumaran-5-yl) ester Formula: C20H21IO3 MolecularWeight: 436.28341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)CCI)C)C(CO2)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)CCI)C)C(CO2)C3=CC=CC=C3

InChI

InChI=1S/C20H21IO3/c1-12-13(2)20-18(14(3)19(12)24-17(22)9-10-21)16(11-23-20)15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3