dimethyl 5-[3-[(3-methylphenyl)carbonylamino]propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(3-methylphenyl)carbonylamino]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[(3-methylbenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(3-methylbenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(m-toluoylamino)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-13-5-4-6-14(9-13)19(25)22-8-7-18(24)23-17-11-15(20(26)28-2)10-16(12-17)21(27)29-3/h4-6,9-12H,7-8H2,1-3H3,(H,22,25)(H,23,24)