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

Systemtic Name: (4-cyanophenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-cyanophenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-cyanophenyl) ester Formula: C16H20N4O2 MolecularWeight: 300.3556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c17-9-11-3-7-14(8-4-11)22-15(21)13-5-1-12(2-6-13)10-20-16(18)19/h3-4,7-8,12-13H,1-2,5-6,10H2,(H4,18,19,20)