methyl (3Z,5Z)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (3Z,5Z)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (3Z,5Z)-3,5-bis[(4-carbamimidoylphenyl)methylene]-4-oxo-cyclohexanecarboxylate CAS Name: (3Z,5Z)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (3Z,5Z)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxocyclohexane-1-carboxylate Traditional Name: (3Z,5Z)-3,5-bis(4-amidinobenzylidene)-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=CC2=CC=C(C=C2)C(=N)N)C(=O)C(=CC3=CC=C(C=C3)C(=N)N)C1

Isomeric SMILES

COC(=O)C1C/C(=C/C2=CC=C(C=C2)C(=N)N)/C(=O)/C(=C\C3=CC=C(C=C3)C(=N)N)/C1

InChI

InChI=1S/C24H24N4O3/c1-31-24(30)20-12-18(10-14-2-6-16(7-3-14)22(25)26)21(29)19(13-20)11-15-4-8-17(9-5-15)23(27)28/h2-11,20H,12-13H2,1H3,(H3,25,26)(H3,27,28)/b18-10-,19-11-