6-[bis(azanyl)methylideneamino]hexyl 3,4,5-trimethoxybenzoate

Systemtic Name: 6-[bis(azanyl)methylideneamino]hexyl 3,4,5-trimethoxybenzoate Openeye Name: 6-guanidinohexyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 6-(diaminomethylideneamino)hexyl ester IUPAC Name: 6-(diaminomethylideneamino)hexyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 6-guanidinohexyl ester Formula: C17H27N3O5 MolecularWeight: 353.41338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCCN=C(N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCCN=C(N)N

InChI

InChI=1S/C17H27N3O5/c1-22-13-10-12(11-14(23-2)15(13)24-3)16(21)25-9-7-5-4-6-8-20-17(18)19/h10-11H,4-9H2,1-3H3,(H4,18,19,20)