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

Systemtic Name: 4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]butanoic acid; piperazine Openeye Name: 4-[(4E)-4-[(4-chlorophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]butanoic acid; piperazine CAS Name: 4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-1-imidazolyl]butanoic acid; piperazine IUPAC Name: 4-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine Traditional Name: 4-[(4E)-4-(4-chlorobenzylidene)-5-keto-2-methyl-2-imidazolin-1-yl]butyric acid; piperazine Formula: C34H40Cl2N6O6 MolecularWeight: 699.624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CCCC(=O)O.CC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CCCC(=O)O.C1CNCCN1

Isomeric SMILES

CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCCC(=O)O.C1NCCNC1

InChI

InChI=1S/2C15H15ClN2O3.C4H10N2/c2*1-10-17-13(9-11-4-6-12(16)7-5-11)15(21)18(10)8-2-3-14(19)20;1-2-6-4-3-5-1/h2*4-7,9H,2-3,8H2,1H3,(H,19,20);5-6H,1-4H2/b2*13-9+;