methyl 2-[1-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-4-oxidanyl-piperidin-4-yl]-2-phenoxy-propanoate

Systemtic Name: methyl 2-[1-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]carbonyl-4-oxidanyl-piperidin-4-yl]-2-phenoxy-propanoate Openeye Name: methyl 2-[4-hydroxy-1-(4-hydroxy-3,5-diiodo-benzoyl)-4-piperidyl]-2-phenoxy-propanoate CAS Name: 2-[4-hydroxy-1-[(4-hydroxy-3,5-diiodophenyl)-oxomethyl]-4-piperidinyl]-2-phenoxypropanoic acid methyl ester IUPAC Name: methyl 2-[4-hydroxy-1-(4-hydroxy-3,5-diiodobenzoyl)piperidin-4-yl]-2-phenoxypropanoate Traditional Name: 2-[4-hydroxy-1-(4-hydroxy-3,5-diiodo-benzoyl)-4-piperidyl]-2-phenoxy-propionic acid methyl ester Formula: C22H23I2NO6 MolecularWeight: 651.23006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)(C1(CCN(CC1)C(=O)C2=CC(=C(C(=C2)I)O)I)O)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)(C1(CCN(CC1)C(=O)C2=CC(=C(C(=C2)I)O)I)O)OC3=CC=CC=C3

InChI

InChI=1S/C22H23I2NO6/c1-21(20(28)30-2,31-15-6-4-3-5-7-15)22(29)8-10-25(11-9-22)19(27)14-12-16(23)18(26)17(24)13-14/h3-7,12-13,26,29H,8-11H2,1-2H3