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

Systemtic Name: heptan-2-yl 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: 1-methylhexyl 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid 1-methylhexyl ester Formula: C16H31N3O2 MolecularWeight: 297.43624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1CCC(CC1)CN=C(N)N

Isomeric SMILES

CCCCCC(C)OC(=O)C1CCC(CC1)CN=C(N)N

InChI

InChI=1S/C16H31N3O2/c1-3-4-5-6-12(2)21-15(20)14-9-7-13(8-10-14)11-19-16(17)18/h12-14H,3-11H2,1-2H3,(H4,17,18,19)