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

Systemtic Name: [3-(2,2-dimethylpentanoylamino)phenyl] N-(cyanomethyl)-N-phenyl-carbamate Openeye Name: [3-(2,2-dimethylpentanoylamino)phenyl] N-(cyanomethyl)-N-phenyl-carbamate CAS Name: N-(cyanomethyl)-N-phenylcarbamic acid [3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl] ester IUPAC Name: [3-(2,2-dimethylpentanoylamino)phenyl] N-(cyanomethyl)-N-phenylcarbamate Traditional Name: N-(cyanomethyl)-N-phenyl-carbamic acid [3-(2,2-dimethylpentanoylamino)phenyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-4-13-22(2,3)20(26)24-17-9-8-12-19(16-17)28-21(27)25(15-14-23)18-10-6-5-7-11-18/h5-12,16H,4,13,15H2,1-3H3,(H,24,26)