ethyl 2-[[1-acetyloxy-4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[1-acetyloxy-4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[1-acetoxy-4-(guanidinomethyl)cyclohexanecarbonyl]amino]benzoate CAS Name: 2-[[[1-acetyloxy-4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-acetyloxy-4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoate Traditional Name: 2-[[1-acetoxy-4-(guanidinomethyl)cyclohexanecarbonyl]amino]benzoic acid ethyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2(CCC(CC2)CN=C(N)N)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2(CCC(CC2)CN=C(N)N)OC(=O)C

InChI

InChI=1S/C20H28N4O5/c1-3-28-17(26)15-6-4-5-7-16(15)24-18(27)20(29-13(2)25)10-8-14(9-11-20)12-23-19(21)22/h4-7,14H,3,8-12H2,1-2H3,(H,24,27)(H4,21,22,23)