2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-phthalimido-propionic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H16N2O6/c22-16-13-8-4-5-9-14(13)17(23)21(16)15(18(24)25)10-20-19(26)27-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,26)(H,24,25)