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

Systemtic Name: 3-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]propanoic acid; piperazine Openeye Name: 3-[(4E)-4-[(4-methoxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]propanoic acid; piperazine CAS Name: 3-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-imidazolyl]propanoic acid; piperazine IUPAC Name: 3-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid; piperazine Traditional Name: 3-[(4E)-5-keto-2-methyl-4-p-anisylidene-2-imidazolin-1-yl]propionic acid; piperazine Formula: C34H42N6O8 MolecularWeight: 662.73268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H16N2O4.C4H10N2/c2*1-10-16-13(15(20)17(10)8-7-14(18)19)9-11-3-5-12(21-2)6-4-11;1-2-6-4-3-5-1/h2*3-6,9H,7-8H2,1-2H3,(H,18,19);5-6H,1-4H2/b2*13-9+;