methyl 4-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]butanoate Openeye Name: methyl 4-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]butanoate CAS Name: 4-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]butanoate Traditional Name: 4-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]butyric acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-28-18(24)8-5-11-22-19(25)15-9-10-16-17(12-15)21(27)23(20(16)26)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,22,25)