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

Systemtic Name: butyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: butyl 3-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]benzoate CAS Name: 3-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 3-(6-phthalimidohexanoylamino)benzoic acid butyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H28N2O5/c1-2-3-16-32-25(31)18-10-9-11-19(17-18)26-22(28)14-5-4-8-15-27-23(29)20-12-6-7-13-21(20)24(27)30/h6-7,9-13,17H,2-5,8,14-16H2,1H3,(H,26,28)