[1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] benzoate

Systemtic Name: [1-azanyl-7-[bis(azanyl)methylideneamino]-1-oxidanylidene-heptan-3-yl] benzoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-5-guanidino-pentyl] benzoate CAS Name: benzoic acid [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] ester IUPAC Name: [1-amino-7-(diaminomethylideneamino)-1-oxoheptan-3-yl] benzoate Traditional Name: benzoic acid [1-(2-amino-2-keto-ethyl)-5-guanidino-pentyl] ester Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CCCCN=C(N)N)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CCCCN=C(N)N)CC(=O)N

InChI

InChI=1S/C15H22N4O3/c16-13(20)10-12(8-4-5-9-19-15(17)18)22-14(21)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,16,20)(H4,17,18,19)