2-[carboxymethyl-[2-[carboxymethyl-[2-oxidanylidene-2-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)oxy-ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-oxidanylidene-2-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)oxy-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)oxy]ethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(7-oxocyclohepta-1,3,5-trien-1-yl)oxyethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[carboxymethyl-[2-keto-2-(7-ketocyclohepta-1,3,5-trien-1-yl)oxy-ethyl]amino]ethyl]amino]acetic acid Formula: C17H20N2O9 MolecularWeight: 396.3487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C(=O)C=C1)OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H20N2O9/c20-12-4-2-1-3-5-13(12)28-17(27)11-19(10-16(25)26)7-6-18(8-14(21)22)9-15(23)24/h1-5H,6-11H2,(H,21,22)(H,23,24)(H,25,26)