3,5-bis[bis(azanyl)methylideneamino]-4-pentan-3-yloxy-benzoic acid

Systemtic Name: 3,5-bis[bis(azanyl)methylideneamino]-4-pentan-3-yloxy-benzoic acid Openeye Name: 4-(1-ethylpropoxy)-3,5-diguanidino-benzoic acid CAS Name: 3,5-bis(diaminomethylideneamino)-4-pentan-3-yloxybenzoic acid IUPAC Name: 3,5-bis(diaminomethylideneamino)-4-pentan-3-yloxybenzoic acid Traditional Name: 4-(1-ethylpropoxy)-3,5-diguanidino-benzoic acid Formula: C14H22N6O3 MolecularWeight: 322.36288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1N=C(N)N)C(=O)O)N=C(N)N

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1N=C(N)N)C(=O)O)N=C(N)N

InChI

InChI=1S/C14H22N6O3/c1-3-8(4-2)23-11-9(19-13(15)16)5-7(12(21)22)6-10(11)20-14(17)18/h5-6,8H,3-4H2,1-2H3,(H,21,22)(H4,15,16,19)(H4,17,18,20)