2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]propanoic acid CAS Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]propionic acid Formula: C22H31N3O11 MolecularWeight: 513.49504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O11/c26-18(27)10-23(11-19(28)29)6-8-25(9-7-24(12-20(30)31)13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)