2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]methyl]butanoic acid hydrochloride

Systemtic Name: 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]methyl]butanoic acid hydrochloride Openeye Name: 2-[[3-[[3-(dimethylaminomethyleneamino)-2,4,6-triiodo-benzoyl]amino]phenyl]methyl]butanoic acid hydrochloride CAS Name: 2-[[3-[[[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]-oxomethyl]amino]phenyl]methyl]butanoic acid hydrochloride IUPAC Name: 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid hydrochloride Traditional Name: 2-[3-[[3-(dimethylaminomethyleneamino)-2,4,6-triiodo-benzoyl]amino]benzyl]butyric acid hydrochloride Formula: C21H23ClI3N3O3 MolecularWeight: 781.59203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N=CN(C)C)I)C(=O)O.Cl

Isomeric SMILES

CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N=CN(C)C)I)C(=O)O.Cl

InChI

InChI=1S/C21H22I3N3O3.ClH/c1-4-13(21(29)30)8-12-6-5-7-14(9-12)26-20(28)17-15(22)10-16(23)19(18(17)24)25-11-27(2)3;/h5-7,9-11,13H,4,8H2,1-3H3,(H,26,28)(H,29,30);1H