2-[[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(guanidinomethyl)cyclohexanecarbonyl]amino]benzoic acid CAS Name: 2-[[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]benzoic acid Traditional Name: 2-[[4-(guanidinomethyl)cyclohexanecarbonyl]amino]benzoic acid Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H22N4O3/c17-16(18)19-9-10-5-7-11(8-6-10)14(21)20-13-4-2-1-3-12(13)15(22)23/h1-4,10-11H,5-9H2,(H,20,21)(H,22,23)(H4,17,18,19)