ethyl (2S)-2-acetamido-3-[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-acetamido-3-[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]propanoate Openeye Name: ethyl (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propionic acid ethyl ester Formula: C20H21I2NO5 MolecularWeight: 609.19338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)NC(=O)C

InChI

InChI=1S/C20H21I2NO5/c1-4-27-20(25)18(23-12(2)24)11-13-9-16(21)19(17(22)10-13)28-15-7-5-14(26-3)6-8-15/h5-10,18H,4,11H2,1-3H3,(H,23,24)/t18-/m0/s1