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

Systemtic Name: (4-ethylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-ethylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-ethylphenyl) ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C17H25N3O2/c1-2-12-5-9-15(10-6-12)22-16(21)14-7-3-13(4-8-14)11-20-17(18)19/h5-6,9-10,13-14H,2-4,7-8,11H2,1H3,(H4,18,19,20)