2-[8-[3,5-bis(trifluoromethyl)phenyl]carbonyl-4,11-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid

Systemtic Name: 2-[8-[3,5-bis(trifluoromethyl)phenyl]carbonyl-4,11-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid Openeye Name: 2-[8-[3,5-bis(trifluoromethyl)benzoyl]-4,11-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid CAS Name: 2-[8-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-4,11-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid IUPAC Name: 2-[8-[3,5-bis(trifluoromethyl)benzoyl]-4,11-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Traditional Name: 2-[8-[3,5-bis(trifluoromethyl)benzoyl]-4,11-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Formula: C25H32F6N4O7 MolecularWeight: 614.534599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CC(=O)O)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CC(=O)O)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(=O)O)CC(=O)O

InChI

InChI=1S/C25H32F6N4O7/c26-24(27,28)18-11-17(12-19(13-18)25(29,30)31)23(42)35-6-2-5-33(15-21(38)39)8-7-32(14-20(36)37)3-1-4-34(9-10-35)16-22(40)41/h11-13H,1-10,14-16H2,(H,36,37)(H,38,39)(H,40,41)