(2,4-dimethylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (2,4-dimethylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (2,4-dimethylphenyl) ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N)C

InChI

InChI=1S/C17H25N3O2/c1-11-3-8-15(12(2)9-11)22-16(21)14-6-4-13(5-7-14)10-20-17(18)19/h3,8-9,13-14H,4-7,10H2,1-2H3,(H4,18,19,20)