[3-(2-methylpropoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(4-methylphenyl)carbamate

Systemtic Name: [3-(2-methylpropoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(4-methylphenyl)carbamate Openeye Name: [3-(isobutoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(p-tolyl)carbamate CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)carbamic acid [3-[[2-methylpropoxy(oxo)methyl]amino]phenyl] ester IUPAC Name: [3-(2-methylpropoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(4-methylphenyl)carbamate Traditional Name: N-(2-cyanoethyl)-N-(p-tolyl)carbamic acid [3-(isobutoxycarbonylamino)phenyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)OC2=CC=CC(=C2)NC(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)OC2=CC=CC(=C2)NC(=O)OCC(C)C

InChI

InChI=1S/C22H25N3O4/c1-16(2)15-28-21(26)24-18-6-4-7-20(14-18)29-22(27)25(13-5-12-23)19-10-8-17(3)9-11-19/h4,6-11,14,16H,5,13,15H2,1-3H3,(H,24,26)