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

Systemtic Name: (3-phenylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (3-phenylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (3-phenylphenyl) ester IUPAC Name: (3-phenylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (3-phenylphenyl) ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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