2-[7-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxidanylidene-ethyl]-4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[7-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxidanylidene-ethyl]-4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[7-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxo-ethyl]-4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[7-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxoethyl]-4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[7-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-oxoethyl]-4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[7-[2-[3,5-bis(trifluoromethyl)benzyl]oxy-2-keto-ethyl]-4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C23H30F6N4O6 MolecularWeight: 572.497919

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1)CC(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1)CC(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H30F6N4O6/c24-22(25,26)17-9-16(10-18(11-17)23(27,28)29)15-39-21(38)14-32-4-2-30-1-3-31(12-19(34)35)5-7-33(8-6-32)13-20(36)37/h9-11,30H,1-8,12-15H2,(H,34,35)(H,36,37)