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

Systemtic Name: (3-methoxyphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (3-methoxyphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (3-methoxyphenyl) ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

COC1=CC=CC(=C1)OC(=O)C2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C16H23N3O3/c1-21-13-3-2-4-14(9-13)22-15(20)12-7-5-11(6-8-12)10-19-16(17)18/h2-4,9,11-12H,5-8,10H2,1H3,(H4,17,18,19)