4-azanyl-3-[4-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-[4-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-(4-butyl-1,3-dioxo-isoindolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-amino-3-(4-butyl-1,3-dioxo-2-isoindolyl)-4-oxobutanoic acid IUPAC Name: 4-amino-3-(4-butyl-1,3-dioxoisoindol-2-yl)-4-oxobutanoic acid Traditional Name: 4-amino-3-(4-butyl-1,3-diketo-isoindolin-2-yl)-4-keto-butyric acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1C(=O)N(C2=O)C(CC(=O)O)C(=O)N

Isomeric SMILES

CCCCC1=CC=CC2=C1C(=O)N(C2=O)C(CC(=O)O)C(=O)N

InChI

InChI=1S/C16H18N2O5/c1-2-3-5-9-6-4-7-10-13(9)16(23)18(15(10)22)11(14(17)21)8-12(19)20/h4,6-7,11H,2-3,5,8H2,1H3,(H2,17,21)(H,19,20)