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

Systemtic Name: methyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoate Openeye Name: methyl 4-[2-(1,3-dioxoisoindolin-2-yl)hexanoylamino]benzoate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate Traditional Name: 4-(2-phthalimidohexanoylamino)benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O5/c1-3-4-9-18(24-20(26)16-7-5-6-8-17(16)21(24)27)19(25)23-15-12-10-14(11-13-15)22(28)29-2/h5-8,10-13,18H,3-4,9H2,1-2H3,(H,23,25)