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

Systemtic Name: (2-ethoxyphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (2-ethoxyphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid o-phenetyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

CCOC1=CC=CC=C1OC(=O)C2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C17H25N3O3/c1-2-22-14-5-3-4-6-15(14)23-16(21)13-9-7-12(8-10-13)11-20-17(18)19/h3-6,12-13H,2,7-11H2,1H3,(H4,18,19,20)