[3-(butan-2-yloxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-phenyl-carbamate

Systemtic Name: [3-(butan-2-yloxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-phenyl-carbamate Openeye Name: [3-(sec-butoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-phenyl-carbamate CAS Name: N-(2-cyanoethyl)-N-phenylcarbamic acid [3-[[butan-2-yloxy(oxo)methyl]amino]phenyl] ester IUPAC Name: [3-(butan-2-yloxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-phenylcarbamate Traditional Name: N-(2-cyanoethyl)-N-phenyl-carbamic acid [3-(sec-butoxycarbonylamino)phenyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-3-16(2)27-20(25)23-17-9-7-12-19(15-17)28-21(26)24(14-8-13-22)18-10-5-4-6-11-18/h4-7,9-12,15-16H,3,8,14H2,1-2H3,(H,23,25)