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

Systemtic Name: [4-(phenylmethyl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-benzylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid [4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-benzylphenyl) ester Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c23-22(24)25-15-18-6-10-19(11-7-18)21(26)27-20-12-8-17(9-13-20)14-16-4-2-1-3-5-16/h1-5,8-9,12-13,18-19H,6-7,10-11,14-15H2,(H4,23,24,25)