(phenylmethyl) 2-azanyl-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-butanoate

Systemtic Name: (phenylmethyl) 2-azanyl-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,3-dimethyl-butanoate Openeye Name: benzyl 2-amino-4-(1,3-dioxoisoindolin-2-yl)-3,3-dimethyl-butanoate CAS Name: 2-amino-4-(1,3-dioxo-2-isoindolyl)-3,3-dimethylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-4-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate Traditional Name: 2-amino-3,3-dimethyl-4-phthalimido-butyric acid benzyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)C(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)C(C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N2O4/c1-21(2,17(22)20(26)27-12-14-8-4-3-5-9-14)13-23-18(24)15-10-6-7-11-16(15)19(23)25/h3-11,17H,12-13,22H2,1-2H3