3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-hexanoyl-amino]benzoate

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-hexanoyl-amino]benzoate Openeye Name: 3-[(1,3-dioxoisoindolin-2-yl)methyl-hexanoyl-amino]benzoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl-(1-oxohexyl)amino]benzoate IUPAC Name: 3-[(1,3-dioxoisoindol-2-yl)methyl-hexanoylamino]benzoate Traditional Name: 3-[caproyl(phthalimidomethyl)amino]benzoate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCCCCC(=O)N(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC(=C3)C(=O)[O-]

InChI

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