methyl 3-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate

Systemtic Name: methyl 3-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate Openeye Name: methyl 3-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate CAS Name: 3-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate Traditional Name: 3-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid methyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-23-15(21)13-3-2-4-14(9-13)24-16(22)12-7-5-11(6-8-12)10-20-17(18)19/h2-4,9,11-12H,5-8,10H2,1H3,(H4,18,19,20)