4-[[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)amino]methyl]benzoate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-13(2)9-10-24-20(26)17-8-7-16(11-18(17)21(24)27)19(25)23-12-14-3-5-15(6-4-14)22(28)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)(H,28,29)/p-1