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

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl 3,4,5-trimethoxybenzoate Openeye Name: 4-guanidinobutyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 4-(diaminomethylideneamino)butyl ester IUPAC Name: 4-(diaminomethylideneamino)butyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 4-guanidinobutyl ester Formula: C15H23N3O5 MolecularWeight: 325.36022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O5/c1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17/h8-9H,4-7H2,1-3H3,(H4,16,17,18)