(phenylmethyl) 3-(aminomethylamino)-2,2-dimethyl-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(aminomethylamino)-2,2-dimethyl-3-oxidanylidene-propanoate Openeye Name: benzyl 3-(aminomethylamino)-2,2-dimethyl-3-oxo-propanoate CAS Name: 3-(aminomethylamino)-2,2-dimethyl-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(aminomethylamino)-2,2-dimethyl-3-oxopropanoate Traditional Name: 3-(aminomethylamino)-3-keto-2,2-dimethyl-propionic acid benzyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCN)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)NCN)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O3/c1-13(2,11(16)15-9-14)12(17)18-8-10-6-4-3-5-7-10/h3-7H,8-9,14H2,1-2H3,(H,15,16)