hexyl 4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate

Systemtic Name: hexyl 4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: hexyl 4-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]benzoate CAS Name: 4-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 4-(6-phthalimidohexanoylamino)benzoic acid hexyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H32N2O5/c1-2-3-4-10-19-34-27(33)20-14-16-21(17-15-20)28-24(30)13-6-5-9-18-29-25(31)22-11-7-8-12-23(22)26(29)32/h7-8,11-12,14-17H,2-6,9-10,13,18-19H2,1H3,(H,28,30)