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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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