dimethyl 5-[bis(pyridin-2-ylmethyl)carbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[bis(pyridin-2-ylmethyl)carbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[bis(2-pyridylmethyl)carbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[bis(2-pyridinylmethyl)amino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[bis(pyridin-2-ylmethyl)carbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[bis(2-pyridylmethyl)carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N(CC2=CC=CC=N2)CC3=CC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N(CC2=CC=CC=N2)CC3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C23H22N4O5/c1-31-21(28)16-11-17(22(29)32-2)13-20(12-16)26-23(30)27(14-18-7-3-5-9-24-18)15-19-8-4-6-10-25-19/h3-13H,14-15H2,1-2H3,(H,26,30)