(3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylene]-4-oxo-cyclohexanecarboxylic acid CAS Name: (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid Traditional Name: (3E,5E)-3,5-bis(4-amidinobenzylidene)-4-keto-cyclohexanecarboxylic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=CC2=CC=C(C=C2)C(=N)N)C(=O)C1=CC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1/C(=C\C2=CC=C(C=C2)C(=N)N)/C(=O)/C(=C/C3=CC=C(C=C3)C(=N)N)/CC1C(=O)O

InChI

InChI=1S/C23H22N4O3/c24-21(25)15-5-1-13(2-6-15)9-17-11-19(23(29)30)12-18(20(17)28)10-14-3-7-16(8-4-14)22(26)27/h1-10,19H,11-12H2,(H3,24,25)(H3,26,27)(H,29,30)/b17-9+,18-10+