pentyl 2-azanyl-4-[bis(azanyl)methyl]benzoate

Systemtic Name: pentyl 2-azanyl-4-[bis(azanyl)methyl]benzoate Openeye Name: pentyl 2-amino-4-(diaminomethyl)benzoate CAS Name: 2-amino-4-(diaminomethyl)benzoic acid pentyl ester IUPAC Name: pentyl 2-amino-4-(diaminomethyl)benzoate Traditional Name: 2-amino-4-(diaminomethyl)benzoic acid amyl ester Formula: C13H21N3O2 MolecularWeight: 251.32474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=C(C=C1)C(N)N)N

Isomeric SMILES

CCCCCOC(=O)C1=C(C=C(C=C1)C(N)N)N

InChI

InChI=1S/C13H21N3O2/c1-2-3-4-7-18-13(17)10-6-5-9(12(15)16)8-11(10)14/h5-6,8,12H,2-4,7,14-16H2,1H3