5-azanyl-4-[4-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[4-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-(4-butyl-1,3-dioxo-isoindolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-amino-4-(4-butyl-1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid IUPAC Name: 5-amino-4-(4-butyl-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid Traditional Name: 5-amino-4-(4-butyl-1,3-diketo-isoindolin-2-yl)-5-keto-valeric acid Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-2-3-5-10-6-4-7-11-14(10)17(24)19(16(11)23)12(15(18)22)8-9-13(20)21/h4,6-7,12H,2-3,5,8-9H2,1H3,(H2,18,22)(H,20,21)