(4-tert-butylphenyl) 4-[2-[bis(azanyl)methylideneamino]ethyl]cyclohexane-1-carboxylate

Systemtic Name: (4-tert-butylphenyl) 4-[2-[bis(azanyl)methylideneamino]ethyl]cyclohexane-1-carboxylate Openeye Name: (4-tert-butylphenyl) 4-(2-guanidinoethyl)cyclohexanecarboxylate CAS Name: 4-[2-(diaminomethylideneamino)ethyl]-1-cyclohexanecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-[2-(diaminomethylideneamino)ethyl]cyclohexane-1-carboxylate Traditional Name: 4-(2-guanidinoethyl)cyclohexanecarboxylic acid (4-tert-butylphenyl) ester Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCN=C(N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCN=C(N)N

InChI

InChI=1S/C20H31N3O2/c1-20(2,3)16-8-10-17(11-9-16)25-18(24)15-6-4-14(5-7-15)12-13-23-19(21)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H4,21,22,23)