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

Systemtic Name: 3-methylbutyl 4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: isopentyl 4-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]benzoate CAS Name: 4-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 4-(6-phthalimidohexanoylamino)benzoic acid isoamyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-18(2)15-17-33-26(32)19-11-13-20(14-12-19)27-23(29)10-4-3-7-16-28-24(30)21-8-5-6-9-22(21)25(28)31/h5-6,8-9,11-14,18H,3-4,7,10,15-17H2,1-2H3,(H,27,29)