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

Systemtic Name: [4-[bis(azanyl)methylideneamino]cyclohexyl] 3,4,5-trimethoxybenzoate Openeye Name: (4-guanidinocyclohexyl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(diaminomethylideneamino)cyclohexyl] ester IUPAC Name: [4-(diaminomethylideneamino)cyclohexyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (4-guanidinocyclohexyl) ester Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)N=C(N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)N=C(N)N

InChI

InChI=1S/C17H25N3O5/c1-22-13-8-10(9-14(23-2)15(13)24-3)16(21)25-12-6-4-11(5-7-12)20-17(18)19/h8-9,11-12H,4-7H2,1-3H3,(H4,18,19,20)