dimethyl 2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[3-(m-toluoylamino)propanoylamino]benzene-1,4-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=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

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