[3-(2,2-dimethylpentanoylamino)phenyl] N-(2-cyanoethyl)-N-phenyl-carbamate

Systemtic Name: [3-(2,2-dimethylpentanoylamino)phenyl] N-(2-cyanoethyl)-N-phenyl-carbamate Openeye Name: [3-(2,2-dimethylpentanoylamino)phenyl] N-(2-cyanoethyl)-N-phenyl-carbamate CAS Name: N-(2-cyanoethyl)-N-phenylcarbamic acid [3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl] ester IUPAC Name: [3-(2,2-dimethylpentanoylamino)phenyl] N-(2-cyanoethyl)-N-phenylcarbamate Traditional Name: N-(2-cyanoethyl)-N-phenyl-carbamic acid [3-(2,2-dimethylpentanoylamino)phenyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)NC1=CC(=CC=C1)OC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCCC(C)(C)C(=O)NC1=CC(=CC=C1)OC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C23H27N3O3/c1-4-14-23(2,3)21(27)25-18-10-8-13-20(17-18)29-22(28)26(16-9-15-24)19-11-6-5-7-12-19/h5-8,10-13,17H,4,9,14,16H2,1-3H3,(H,25,27)