3-[5-(2-methylbutanoylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[5-(2-methylbutanoylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(2-methylbutanoylamino)-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-[(2-methyl-1-oxobutyl)amino]-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-(2-methylbutanoylamino)-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[1,3-diketo-5-(2-methylbutanoylamino)isoindolin-2-yl]propionic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

CCC(C)C(=O)NC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

InChI

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