2-methyl-2-[[4-(3-oxidanylpropoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid

Systemtic Name: 2-methyl-2-[[4-(3-oxidanylpropoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid Openeye Name: 2-[[4-(3-hydroxypropoxy)phenyl]methyl]-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid CAS Name: 2-[[4-(3-hydroxypropoxy)phenyl]methyl]-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid IUPAC Name: 2-[[4-(3-hydroxypropoxy)phenyl]methyl]-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid Traditional Name: 2-[4-(3-hydroxypropoxy)benzyl]-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid Formula: C23H34N4O10 MolecularWeight: 526.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(CCN(CCN1C(=O)O)C(=O)O)C(=O)O)C(=O)O)CC2=CC=C(C=C2)OCCCO

Isomeric SMILES

CC1(CN(CCN(CCN(CCN1C(=O)O)C(=O)O)C(=O)O)C(=O)O)CC2=CC=C(C=C2)OCCCO

InChI

InChI=1S/C23H34N4O10/c1-23(15-17-3-5-18(6-4-17)37-14-2-13-28)16-26(21(33)34)10-9-24(19(29)30)7-8-25(20(31)32)11-12-27(23)22(35)36/h3-6,28H,2,7-16H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)