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

Systemtic Name: (2-phenoxyphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (2-phenoxyphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (2-phenoxyphenyl) ester hydrochloride IUPAC Name: (2-phenoxyphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (2-phenoxyphenyl) ester hydrochloride Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2OC3=CC=CC=C3.Cl

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2OC3=CC=CC=C3.Cl

InChI

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