2-[3-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenoxy]-2-(3-methylphenyl)ethanoic acid

Systemtic Name: 2-[3-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenoxy]-2-(3-methylphenyl)ethanoic acid Openeye Name: 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodo-phenoxy]-2-(m-tolyl)acetic acid CAS Name: 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]-2-(3-methylphenyl)acetic acid IUPAC Name: 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]-2-(3-methylphenyl)acetic acid Traditional Name: 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodo-phenoxy]-2-(m-tolyl)acetic acid Formula: C19H18I3NO4 MolecularWeight: 705.06393

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C(=C(C=C1I)I)OC(C2=CC=CC(=C2)C)C(=O)O)I)C(=O)C

Isomeric SMILES

CCN(C1=C(C(=C(C=C1I)I)OC(C2=CC=CC(=C2)C)C(=O)O)I)C(=O)C

InChI

InChI=1S/C19H18I3NO4/c1-4-23(11(3)24)16-13(20)9-14(21)18(15(16)22)27-17(19(25)26)12-7-5-6-10(2)8-12/h5-9,17H,4H2,1-3H3,(H,25,26)