2-azanylethyl-bis(carboxymethyl)-[2-[(2-ethenoxy-2-oxidanylidene-ethyl)-(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]ethyl]azanium

Systemtic Name: 2-azanylethyl-bis(carboxymethyl)-[2-[(2-ethenoxy-2-oxidanylidene-ethyl)-(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]ethyl]azanium Openeye Name: 2-aminoethyl-[2-[(2-benzyloxy-2-oxo-ethyl)-(2-oxo-2-vinyloxy-ethyl)amino]ethyl]-bis(carboxymethyl)ammonium CAS Name: 2-aminoethyl-bis(carboxymethyl)-[2-[(2-ethenoxy-2-oxoethyl)-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]ammonium IUPAC Name: 2-aminoethyl-bis(carboxymethyl)-[2-[(2-ethenoxy-2-oxoethyl)-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]azanium Traditional Name: 2-aminoethyl-[2-[(2-benzoxy-2-keto-ethyl)-(2-keto-2-vinyloxy-ethyl)amino]ethyl]-bis(carboxymethyl)ammonium Formula: C21H30N3O8+ MolecularWeight: 452.4782

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)CN(CC[N+](CCN)(CC(=O)O)CC(=O)O)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C=COC(=O)CN(CC[N+](CCN)(CC(=O)O)CC(=O)O)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H29N3O8/c1-2-31-20(29)12-23(13-21(30)32-16-17-6-4-3-5-7-17)9-11-24(10-8-22,14-18(25)26)15-19(27)28/h2-7H,1,8-16,22H2,(H-,25,26,27,28)/p+1