ethanedioic acid; 1-(3-imidazol-1-ylpropyl)-3-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: ethanedioic acid; 1-(3-imidazol-1-ylpropyl)-3-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: 3-benzyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,5-dione; oxalic acid CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(phenylmethyl)pyrrolidine-2,5-dione; oxalic acid IUPAC Name: 3-benzyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,5-dione; oxalic acid Traditional Name: 3-benzyl-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,5-quinone; oxalic acid Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCCN2C=CN=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)CCCN2C=CN=C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19N3O2.C2H2O4/c21-16-12-15(11-14-5-2-1-3-6-14)17(22)20(16)9-4-8-19-10-7-18-13-19;3-1(4)2(5)6/h1-3,5-7,10,13,15H,4,8-9,11-12H2;(H,3,4)(H,5,6)