2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-naphthalen-2-yl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-naphthalen-2-yl-3-oxidanylidene-propanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-(2-naphthyl)-3-oxo-propanoic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-(2-naphthalenyl)-3-oxopropanoic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-naphthalen-2-yl-3-oxopropanoic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-keto-3-(2-naphthyl)propionic acid Formula: C21H22N2O9 MolecularWeight: 446.40738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C21H22N2O9/c24-16(25)10-22(11-17(26)27)7-8-23(12-18(28)29)19(21(31)32)20(30)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,19H,7-8,10-12H2,(H,24,25)(H,26,27)(H,28,29)(H,31,32)