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

Systemtic Name: ethanedioic acid; ethyl 4-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[2-(4-methoxycarbonylanilino)-2-oxoethyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[2-(4-carbomethoxyanilino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C19H25N3O9 MolecularWeight: 439.4165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O5.C2H2O4/c1-3-25-17(23)20-10-8-19(9-11-20)12-15(21)18-14-6-4-13(5-7-14)16(22)24-2;3-1(4)2(5)6/h4-7H,3,8-12H2,1-2H3,(H,18,21);(H,3,4)(H,5,6)