dimethyl 5-[2-(cycloheptylamino)ethanoylamino]benzene-1,3-dicarboxylate; ethanedioic acid

Systemtic Name: dimethyl 5-[2-(cycloheptylamino)ethanoylamino]benzene-1,3-dicarboxylate; ethanedioic acid Openeye Name: dimethyl 5-[[2-(cycloheptylamino)acetyl]amino]benzene-1,3-dicarboxylate; oxalic acid CAS Name: 5-[[2-(cycloheptylamino)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester; oxalic acid IUPAC Name: dimethyl 5-[[2-(cycloheptylamino)acetyl]amino]benzene-1,3-dicarboxylate; oxalic acid Traditional Name: 5-[[2-(cycloheptylamino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester; oxalic acid Formula: C21H28N2O9 MolecularWeight: 452.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CNC2CCCCCC2)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CNC2CCCCCC2)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N2O5.C2H2O4/c1-25-18(23)13-9-14(19(24)26-2)11-16(10-13)21-17(22)12-20-15-7-5-3-4-6-8-15;3-1(4)2(5)6/h9-11,15,20H,3-8,12H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)