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

Systemtic Name: octan-2-yl 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: 1-methylheptyl 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid 1-methylheptyl ester Formula: C17H33N3O2 MolecularWeight: 311.46282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33N3O2/c1-3-4-5-6-7-13(2)22-16(21)15-10-8-14(9-11-15)12-20-17(18)19/h13-15H,3-12H2,1-2H3,(H4,18,19,20)