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

Systemtic Name: (2-methylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: o-tolyl 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid o-tolyl ester Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2CCC(CC2)CN=C(N)N

InChI

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