3-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]propionic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H18N2O6/c20-14(21)5-6-18-15(22)10-3-4-12-13(8-10)17(24)19(16(12)23)9-11-2-1-7-25-11/h3-4,8,11H,1-2,5-7,9H2,(H,18,22)(H,20,21)