[4-(phenylcarbonyl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-benzoylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-benzoylphenyl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c23-22(24)25-14-15-6-8-18(9-7-15)21(27)28-19-12-10-17(11-13-19)20(26)16-4-2-1-3-5-16/h1-5,10-13,15,18H,6-9,14H2,(H4,23,24,25)