(4-hexyl-3-oxidanyl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: (4-hexyl-3-oxidanyl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (4-hexyl-3-hydroxy-phenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-hexyl-3-hydroxyphenyl) ester IUPAC Name: (4-hexyl-3-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (4-hexyl-3-hydroxy-phenyl) ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)O

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)O

InChI

InChI=1S/C20H25N3O3/c1-2-3-4-5-6-14-9-12-17(13-18(14)24)26-19(25)15-7-10-16(11-8-15)23-20(21)22/h7-13,24H,2-6H2,1H3,(H4,21,22,23)