4-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoic acid

Systemtic Name: 4-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoic acid Openeye Name: 4-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid CAS Name: 4-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoic acid Traditional Name: 4-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21N3O4/c17-16(18)19-9-10-1-3-12(4-2-10)15(22)23-13-7-5-11(6-8-13)14(20)21/h5-8,10,12H,1-4,9H2,(H,20,21)(H4,17,18,19)