2-[4-[2-(4-aminophenyl)ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(4-aminophenyl)ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-aminophenyl)ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-[2-(4-aminophenyl)ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-[2-(4-aminophenyl)ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-aminophenyl)ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C22H35N5O6 MolecularWeight: 465.5432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CCC2=CC=C(C=C2)N)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CCC2=CC=C(C=C2)N)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C22H35N5O6/c23-19-3-1-18(2-4-19)5-6-24-7-9-25(15-20(28)29)11-13-27(17-22(32)33)14-12-26(10-8-24)16-21(30)31/h1-4H,5-17,23H2,(H,28,29)(H,30,31)(H,32,33)