2-[3-[butanoyl-(phenylmethyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-[butanoyl-(phenylmethyl)amino]-2,4,6-tris(iodanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodo-phenyl]acetic acid CAS Name: 2-[2,4,6-triiodo-3-[1-oxobutyl-(phenylmethyl)amino]phenyl]acetic acid IUPAC Name: 2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodophenyl]acetic acid Traditional Name: 2-[3-[benzyl(butyryl)amino]-2,4,6-triiodo-phenyl]acetic acid Formula: C19H18I3NO3 MolecularWeight: 689.06453

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=CC=C1)C2=C(C=C(C(=C2I)CC(=O)O)I)I

Isomeric SMILES

CCCC(=O)N(CC1=CC=CC=C1)C2=C(C=C(C(=C2I)CC(=O)O)I)I

InChI

InChI=1S/C19H18I3NO3/c1-2-6-16(24)23(11-12-7-4-3-5-8-12)19-15(21)10-14(20)13(18(19)22)9-17(25)26/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,25,26)