3-[2-[bis(2-hydroxyethyl)amino]phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[2-[bis(2-hydroxyethyl)amino]phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[2-[bis(2-hydroxyethyl)amino]phenyl]-2-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 3-[2-[bis(2-hydroxyethyl)amino]phenyl]-2-(1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-[2-[bis(2-hydroxyethyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-[2-[bis(2-hydroxyethyl)amino]phenyl]-2-phthalimido-propionic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O)N(CCO)CCO

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O)N(CCO)CCO

InChI

InChI=1S/C21H22N2O6/c24-11-9-22(10-12-25)17-8-4-1-5-14(17)13-18(21(28)29)23-19(26)15-6-2-3-7-16(15)20(23)27/h1-8,18,24-25H,9-13H2,(H,28,29)