4-[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 4-[[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 4-[(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5/c1-12(2)9-10-23-19(25)16-8-5-14(11-17(16)20(23)26)18(24)22-15-6-3-13(4-7-15)21(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,27,28)