ethanedioic acid; methyl 2-[2-[3-(diethylamino)propylamino]ethanoylamino]benzoate

Systemtic Name: ethanedioic acid; methyl 2-[2-[3-(diethylamino)propylamino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(diethylamino)propylamino]acetyl]amino]benzoate; oxalic acid CAS Name: 2-[[2-[3-(diethylamino)propylamino]-1-oxoethyl]amino]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[[2-[3-(diethylamino)propylamino]acetyl]amino]benzoate; oxalic acid Traditional Name: 2-[[2-[3-(diethylamino)propylamino]acetyl]amino]benzoic acid methyl ester; oxalic acid Formula: C19H29N3O7 MolecularWeight: 411.44946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNCC(=O)NC1=CC=CC=C1C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCNCC(=O)NC1=CC=CC=C1C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O3.C2H2O4/c1-4-20(5-2)12-8-11-18-13-16(21)19-15-10-7-6-9-14(15)17(22)23-3;3-1(4)2(5)6/h6-7,9-10,18H,4-5,8,11-13H2,1-3H3,(H,19,21);(H,3,4)(H,5,6)