dimethyl 2-[2-(azepan-1-yl)ethanoylamino]benzene-1,4-dicarboxylate; ethanedioic acid

Systemtic Name: dimethyl 2-[2-(azepan-1-yl)ethanoylamino]benzene-1,4-dicarboxylate; ethanedioic acid Openeye Name: dimethyl 2-[[2-(azepan-1-yl)acetyl]amino]benzene-1,4-dicarboxylate; oxalic acid CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester; oxalic acid IUPAC Name: dimethyl 2-[[2-(azepan-1-yl)acetyl]amino]benzene-1,4-dicarboxylate; oxalic acid Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester; oxalic acid Formula: C20H26N2O9 MolecularWeight: 438.42844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O5.C2H2O4/c1-24-17(22)13-7-8-14(18(23)25-2)15(11-13)19-16(21)12-20-9-5-3-4-6-10-20;3-1(4)2(5)6/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)