3-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]propanoic acid; piperazine

Systemtic Name: 3-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]propanoic acid; piperazine Openeye Name: 3-[(4E)-4-[(4-chlorophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]propanoic acid; piperazine CAS Name: 3-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-1-imidazolyl]propanoic acid; piperazine IUPAC Name: 3-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid; piperazine Traditional Name: 3-[(4E)-4-(4-chlorobenzylidene)-5-keto-2-methyl-2-imidazolin-1-yl]propionic acid; piperazine Formula: C32H36Cl2N6O6 MolecularWeight: 671.57084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CCC(=O)O.CC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CCC(=O)O.C1CNCCN1

Isomeric SMILES

CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCC(=O)O.CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCC(=O)O.C1NCCNC1

InChI

InChI=1S/2C14H13ClN2O3.C4H10N2/c2*1-9-16-12(8-10-2-4-11(15)5-3-10)14(20)17(9)7-6-13(18)19;1-2-6-4-3-5-1/h2*2-5,8H,6-7H2,1H3,(H,18,19);5-6H,1-4H2/b2*12-8+;