methyl 3-[3,5-bis(iodanyl)-4-(4-oxidanylphenoxy)phenyl]-2-[2-diethylaminoethyl(ethyl)amino]propanoate

Systemtic Name: methyl 3-[3,5-bis(iodanyl)-4-(4-oxidanylphenoxy)phenyl]-2-[2-diethylaminoethyl(ethyl)amino]propanoate Openeye Name: methyl 2-[2-diethylaminoethyl(ethyl)amino]-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-[2-diethylaminoethyl(ethyl)amino]-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[2-diethylaminoethyl(ethyl)amino]-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-[2-diethylaminoethyl(ethyl)amino]-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propionic acid methyl ester Formula: C24H32I2N2O4 MolecularWeight: 666.33082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)OC

Isomeric SMILES

CCN(CC)CCN(CC)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)OC

InChI

InChI=1S/C24H32I2N2O4/c1-5-27(6-2)12-13-28(7-3)22(24(30)31-4)16-17-14-20(25)23(21(26)15-17)32-19-10-8-18(29)9-11-19/h8-11,14-15,22,29H,5-7,12-13,16H2,1-4H3