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

Systemtic Name: phenyl 4-[[bis(azanyl)methylideneamino]methyl]-1-phenyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(guanidinomethyl)-1-phenyl-cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-phenyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[(diaminomethylideneamino)methyl]-1-phenylcyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)-1-phenyl-cyclohexanecarboxylic acid phenyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN=C(N)N)(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c22-20(23)24-15-16-11-13-21(14-12-16,17-7-3-1-4-8-17)19(25)26-18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H4,22,23,24)