4-[(4E)-4-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]butanoic acid; piperazine

Systemtic Name: 4-[(4E)-4-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]butanoic acid; piperazine Openeye Name: 4-[(4E)-4-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]butanoic acid; piperazine CAS Name: 4-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-imidazolyl]butanoic acid; piperazine IUPAC Name: 4-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine Traditional Name: 4-[(4E)-4-(3-hydroxy-4-methoxy-benzylidene)-5-keto-2-methyl-2-imidazolin-1-yl]butyric acid; piperazine Formula: C36H46N6O10 MolecularWeight: 722.78464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H18N2O5.C4H10N2/c2*1-10-17-12(16(22)18(10)7-3-4-15(20)21)8-11-5-6-14(23-2)13(19)9-11;1-2-6-4-3-5-1/h2*5-6,8-9,19H,3-4,7H2,1-2H3,(H,20,21);5-6H,1-4H2/b2*12-8+;