ethanedioic acid; ethyl 6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethanedioic acid; ethyl 6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate; oxalic acid CAS Name: 6-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 6-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate; oxalic acid Traditional Name: 6-[[(3-chlorobenzyl)-methyl-amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester; oxalic acid Formula: C20H26ClN3O7 MolecularWeight: 455.88934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(C)CC2=CC(=CC=C2)Cl)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN(C)CC2=CC(=CC=C2)Cl)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24ClN3O3.C2H2O4/c1-4-14-16(17(23)25-5-2)15(21-18(24)20-14)11-22(3)10-12-7-6-8-13(19)9-12;3-1(4)2(5)6/h6-9,14H,4-5,10-11H2,1-3H3,(H2,20,21,24);(H,3,4)(H,5,6)