2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N

InChI

InChI=1S/C17H23N3O8/c18-12-3-1-11(2-4-12)5-13(20(9-16(25)26)10-17(27)28)6-19(7-14(21)22)8-15(23)24/h1-4,13H,5-10,18H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)