ethanedioic acid; methyl 4-[2-(pyridin-3-ylmethylamino)ethanoylamino]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[2-(pyridin-3-ylmethylamino)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-pyridylmethylamino)acetyl]amino]benzoate; oxalic acid CAS Name: oxalic acid; 4-[[1-oxo-2-(3-pyridinylmethylamino)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyridin-3-ylmethylamino)acetyl]amino]benzoate; oxalic acid Traditional Name: oxalic acid; 4-[[2-(3-pyridylmethylamino)acetyl]amino]benzoic acid methyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17N3O3.C2H2O4/c1-22-16(21)13-4-6-14(7-5-13)19-15(20)11-18-10-12-3-2-8-17-9-12;3-1(4)2(5)6/h2-9,18H,10-11H2,1H3,(H,19,20);(H,3,4)(H,5,6)