2-[2-(4-azanyl-3-oxidanyl-1-phenyl-butan-2-yl)-1,3-bis(oxidanylidene)isoindol-4-yl]ethanoate

Systemtic Name: 2-[2-(4-azanyl-3-oxidanyl-1-phenyl-butan-2-yl)-1,3-bis(oxidanylidene)isoindol-4-yl]ethanoate Openeye Name: 2-[2-(3-amino-1-benzyl-2-hydroxy-propyl)-1,3-dioxo-isoindolin-4-yl]acetate CAS Name: 2-[2-(4-amino-3-hydroxy-1-phenylbutan-2-yl)-1,3-dioxo-4-isoindolyl]acetate IUPAC Name: 2-[2-(4-amino-3-hydroxy-1-phenylbutan-2-yl)-1,3-dioxoisoindol-4-yl]acetate Traditional Name: 2-[2-(3-amino-1-benzyl-2-hydroxy-propyl)-1,3-diketo-isoindolin-4-yl]acetate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CN)O)N2C(=O)C3=C(C2=O)C(=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CN)O)N2C(=O)C3=C(C2=O)C(=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C20H20N2O5/c21-11-16(23)15(9-12-5-2-1-3-6-12)22-19(26)14-8-4-7-13(10-17(24)25)18(14)20(22)27/h1-8,15-16,23H,9-11,21H2,(H,24,25)/p-1