dimethyl 5-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(isobutyrylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-12(2)18(24)22-16-7-5-6-13(9-16)19(25)23-17-10-14(20(26)28-3)8-15(11-17)21(27)29-4/h5-12H,1-4H3,(H,22,24)(H,23,25)