methyl 4-(5-azanyl-3-oxidanylidene-1H-isoindol-2-yl)butanoate

Systemtic Name: methyl 4-(5-azanyl-3-oxidanylidene-1H-isoindol-2-yl)butanoate Openeye Name: methyl 4-(6-amino-1-oxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-amino-3-oxo-1H-isoindol-2-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-amino-3-oxo-1H-isoindol-2-yl)butanoate Traditional Name: 4-(6-amino-1-keto-isoindolin-2-yl)butyric acid methyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1CC2=C(C1=O)C=C(C=C2)N

Isomeric SMILES

COC(=O)CCCN1CC2=C(C1=O)C=C(C=C2)N

InChI

InChI=1S/C13H16N2O3/c1-18-12(16)3-2-6-15-8-9-4-5-10(14)7-11(9)13(15)17/h4-5,7H,2-3,6,8,14H2,1H3