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

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[2-(2-fluoroanilino)-2-keto-1-methyl-ethyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C18H24FN3O7 MolecularWeight: 413.397463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=CC=C2F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=CC=C2F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22FN3O3.C2H2O4/c1-3-23-16(22)20-10-8-19(9-11-20)12(2)15(21)18-14-7-5-4-6-13(14)17;3-1(4)2(5)6/h4-7,12H,3,8-11H2,1-2H3,(H,18,21);(H,3,4)(H,5,6)