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

Systemtic Name: 4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]butanoic acid; piperazine Openeye Name: 4-[(4E)-4-[(4-methoxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]butanoic acid; piperazine CAS Name: 4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-imidazolyl]butanoic acid; piperazine IUPAC Name: 4-[(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid; piperazine Traditional Name: 4-[(4E)-5-keto-2-methyl-4-p-anisylidene-2-imidazolin-1-yl]butyric acid; piperazine Formula: C36H46N6O8 MolecularWeight: 690.78584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H18N2O4.C4H10N2/c2*1-11-17-14(10-12-5-7-13(22-2)8-6-12)16(21)18(11)9-3-4-15(19)20;1-2-6-4-3-5-1/h2*5-8,10H,3-4,9H2,1-2H3,(H,19,20);5-6H,1-4H2/b2*14-10+;