ethyl (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: ethyl (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxidanylidene-piperidine-1-carboxylate Openeye Name: ethyl (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylene]-4-oxo-piperidine-1-carboxylate CAS Name: (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxo-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3E,5E)-3,5-bis[(4-carbamimidoylphenyl)methylidene]-4-oxopiperidine-1-carboxylate Traditional Name: (3E,5E)-3,5-bis(4-amidinobenzylidene)-4-keto-piperidine-1-carboxylic acid ethyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(=CC2=CC=C(C=C2)C(=N)N)C(=O)C(=CC3=CC=C(C=C3)C(=N)N)C1

Isomeric SMILES

CCOC(=O)N1C/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/C24H25N5O3/c1-2-32-24(31)29-13-19(11-15-3-7-17(8-4-15)22(25)26)21(30)20(14-29)12-16-5-9-18(10-6-16)23(27)28/h3-12H,2,13-14H2,1H3,(H3,25,26)(H3,27,28)/b19-11+,20-12+