2-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid CAS Name: 2-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid Formula: C16H21N3O8 MolecularWeight: 383.35324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N

InChI

InChI=1S/C16H21N3O8/c17-11-3-1-10(2-4-11)15(16(26)27)19(9-14(24)25)6-5-18(7-12(20)21)8-13(22)23/h1-4,15H,5-9,17H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)