dimethyl 5-[[4-(butanoylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(butanoylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(butanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(1-oxobutylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(butanoylamino)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-butyramidobenzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-4-5-18(24)22-16-8-6-13(7-9-16)19(25)23-17-11-14(20(26)28-2)10-15(12-17)21(27)29-3/h6-12H,4-5H2,1-3H3,(H,22,24)(H,23,25)