ethyl 4-[(3-iodanyl-2-oxidanyl-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylamino]benzoate

Systemtic Name: ethyl 4-[(3-iodanyl-2-oxidanyl-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylamino]benzoate Openeye Name: ethyl 4-[(2-hydroxy-3-iodo-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylamino]benzoate CAS Name: 4-[(2-hydroxy-3-iodo-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-hydroxy-3-iodo-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylamino]benzoate Traditional Name: 4-[(2-hydroxy-3-iodo-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylamino]benzoic acid ethyl ester Formula: C22H22INO4 MolecularWeight: 491.31885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=C3C4=C(CCCC4)OC3=CC(=C2O)I

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=C3C4=C(CCCC4)OC3=CC(=C2O)I

InChI

InChI=1S/C22H22INO4/c1-2-27-22(26)13-7-9-14(10-8-13)24-12-16-20-15-5-3-4-6-18(15)28-19(20)11-17(23)21(16)25/h7-11,24-25H,2-6,12H2,1H3