(phenylmethyl) N-[cyano(methyl)carbamoyl]-N-(2-methylbutyl)carbamate

Systemtic Name: (phenylmethyl) N-[cyano(methyl)carbamoyl]-N-(2-methylbutyl)carbamate Openeye Name: benzyl N-[cyano(methyl)carbamoyl]-N-(2-methylbutyl)carbamate CAS Name: N-[[cyano(methyl)amino]-oxomethyl]-N-(2-methylbutyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[cyano(methyl)carbamoyl]-N-(2-methylbutyl)carbamate Traditional Name: N-[cyano(methyl)carbamoyl]-N-(2-methylbutyl)carbamic acid benzyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C(=O)N(C)C#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)CN(C(=O)N(C)C#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O3/c1-4-13(2)10-19(15(20)18(3)12-17)16(21)22-11-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3