[4-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-iodanyl-6-methoxy-phenyl] ethanoate

Systemtic Name: [4-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-iodanyl-6-methoxy-phenyl] ethanoate Openeye Name: [4-[3-(2-hydroxyethylamino)-3-oxo-propyl]-2-iodo-6-methoxy-phenyl] acetate CAS Name: acetic acid [4-[3-(2-hydroxyethylamino)-3-oxopropyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[3-(2-hydroxyethylamino)-3-oxopropyl]-2-iodo-6-methoxyphenyl] acetate Traditional Name: acetic acid [4-[3-(2-hydroxyethylamino)-3-keto-propyl]-2-iodo-6-methoxy-phenyl] ester Formula: C14H18INO5 MolecularWeight: 407.20089

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1I)CCC(=O)NCCO)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1I)CCC(=O)NCCO)OC

InChI

InChI=1S/C14H18INO5/c1-9(18)21-14-11(15)7-10(8-12(14)20-2)3-4-13(19)16-5-6-17/h7-8,17H,3-6H2,1-2H3,(H,16,19)