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

Systemtic Name: (4-methylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: p-tolyl 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid p-tolyl ester Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-11-2-8-14(9-3-11)21-15(20)13-6-4-12(5-7-13)10-19-16(17)18/h2-3,8-9,12-13H,4-7,10H2,1H3,(H4,17,18,19)