2-[[2-[(3-butoxyphenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid; technetium-99

Systemtic Name: 2-[[2-[(3-butoxyphenyl)amino]-2-oxidanylidene-ethyl]-(carboxymethyl)amino]ethanoic acid; technetium-99 Openeye Name: 2-[[2-(3-butoxyanilino)-2-oxo-ethyl]-(carboxymethyl)amino]acetic acid; technetium-99 CAS Name: 2-[[2-(3-butoxyanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid; technetium-99 IUPAC Name: 2-[[2-(3-butoxyanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid; technetium-99 Traditional Name: 2-[[2-(3-butoxyanilino)-2-keto-ethyl]-(carboxymethyl)amino]acetic acid; technetium-99 Formula: C16H22N2O6Tc MolecularWeight: 437.261935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CN(CC(=O)O)CC(=O)O.[Tc]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CN(CC(=O)O)CC(=O)O.[99Tc]

InChI

InChI=1S/C16H22N2O6.Tc/c1-2-3-7-24-13-6-4-5-12(8-13)17-14(19)9-18(10-15(20)21)11-16(22)23;/h4-6,8H,2-3,7,9-11H2,1H3,(H,17,19)(H,20,21)(H,22,23);/i;1+1