ethanedioic acid; ethyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C19H27N3O7 MolecularWeight: 409.43358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC=C2C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C=CC=C2C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O3.C2H2O4/c1-4-23-17(22)20-10-8-19(9-11-20)12-15(21)18-16-13(2)6-5-7-14(16)3;3-1(4)2(5)6/h5-7H,4,8-12H2,1-3H3,(H,18,21);(H,3,4)(H,5,6)