ethyl 4-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate

Systemtic Name: ethyl 4-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate Openeye Name: ethyl 4-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate CAS Name: 4-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate Traditional Name: 4-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-2-24-16(22)13-7-9-15(10-8-13)25-17(23)14-5-3-12(4-6-14)11-21-18(19)20/h7-10,12,14H,2-6,11H2,1H3,(H4,19,20,21)