4-azanyl-2-(7-butyl-3-oxidanylidene-1H-isoindol-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(7-butyl-3-oxidanylidene-1H-isoindol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(4-butyl-1-oxo-isoindolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-amino-2-(7-butyl-3-oxo-1H-isoindol-2-yl)-4-oxobutanoic acid IUPAC Name: 4-amino-2-(7-butyl-3-oxo-1H-isoindol-2-yl)-4-oxobutanoic acid Traditional Name: 4-amino-2-(4-butyl-1-keto-isoindolin-2-yl)-4-keto-butyric acid Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1CN(C2=O)C(CC(=O)N)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC2=C1CN(C2=O)C(CC(=O)N)C(=O)O

InChI

InChI=1S/C16H20N2O4/c1-2-3-5-10-6-4-7-11-12(10)9-18(15(11)20)13(16(21)22)8-14(17)19/h4,6-7,13H,2-3,5,8-9H2,1H3,(H2,17,19)(H,21,22)