dimethyl 2-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[3-(isobutyrylamino)benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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