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

Systemtic Name: (4-iodophenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-iodophenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-iodophenyl) ester Formula: C15H20IN3O2 MolecularWeight: 401.24267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20IN3O2/c16-12-5-7-13(8-6-12)21-14(20)11-3-1-10(2-4-11)9-19-15(17)18/h5-8,10-11H,1-4,9H2,(H4,17,18,19)