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

Systemtic Name: 3-[(4E)-4-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]propanoic acid; piperazine Openeye Name: 3-[(4E)-4-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]propanoic acid; piperazine CAS Name: 3-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-imidazolyl]propanoic acid; piperazine IUPAC Name: 3-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid; piperazine Traditional Name: 3-[(4E)-4-(3-hydroxy-4-methoxy-benzylidene)-5-keto-2-methyl-2-imidazolin-1-yl]propionic acid; piperazine Formula: C34H42N6O10 MolecularWeight: 694.73148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H16N2O5.C4H10N2/c2*1-9-16-11(15(21)17(9)6-5-14(19)20)7-10-3-4-13(22-2)12(18)8-10;1-2-6-4-3-5-1/h2*3-4,7-8,18H,5-6H2,1-2H3,(H,19,20);5-6H,1-4H2/b2*11-7+;