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

Systemtic Name: (4-phenoxyphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-phenoxyphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-phenoxyphenyl) ester IUPAC Name: (4-phenoxyphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-phenoxyphenyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c22-21(23)24-14-15-6-8-16(9-7-15)20(25)27-19-12-10-18(11-13-19)26-17-4-2-1-3-5-17/h1-5,10-13,15-16H,6-9,14H2,(H4,22,23,24)