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

Systemtic Name: 3-[bis(azanyl)methylideneamino]propyl 3,4,5-trimethoxybenzoate Openeye Name: 3-guanidinopropyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 3-(diaminomethylideneamino)propyl ester IUPAC Name: 3-(diaminomethylideneamino)propyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 3-guanidinopropyl ester Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5/c1-19-10-7-9(8-11(20-2)12(10)21-3)13(18)22-6-4-5-17-14(15)16/h7-8H,4-6H2,1-3H3,(H4,15,16,17)