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

Systemtic Name: 3-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoic acid Openeye Name: 3-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid CAS Name: 3-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid IUPAC Name: 3-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoic acid Traditional Name: 3-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c17-16(18)19-9-10-4-6-11(7-5-10)15(22)23-13-3-1-2-12(8-13)14(20)21/h1-3,8,10-11H,4-7,9H2,(H,20,21)(H4,17,18,19)