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

Systemtic Name: 3-methylbutyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 4-[(2-phthalimidoacetyl)amino]benzoic acid isoamyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

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