[(2R)-1-cyanobutan-2-yl] N-[[3-[(4-cyano-3-methoxy-phenyl)carbamoylamino]phenyl]methyl]carbamate

Systemtic Name: [(2R)-1-cyanobutan-2-yl] N-[[3-[(4-cyano-3-methoxy-phenyl)carbamoylamino]phenyl]methyl]carbamate Openeye Name: [(1R)-1-(cyanomethyl)propyl] N-[[3-[(4-cyano-3-methoxy-phenyl)carbamoylamino]phenyl]methyl]carbamate CAS Name: N-[[3-[[(4-cyano-3-methoxyanilino)-oxomethyl]amino]phenyl]methyl]carbamic acid [(2R)-1-cyanobutan-2-yl] ester IUPAC Name: [(2R)-1-cyanobutan-2-yl] N-[[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]methyl]carbamate Traditional Name: N-[3-[(4-cyano-3-methoxy-phenyl)carbamoylamino]benzyl]carbamic acid [(1R)-1-(cyanomethyl)propyl] ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)OC(=O)NCC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C#N)OC

Isomeric SMILES

CC[C@H](CC#N)OC(=O)NCC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C#N)OC

InChI

InChI=1S/C22H23N5O4/c1-3-19(9-10-23)31-22(29)25-14-15-5-4-6-17(11-15)26-21(28)27-18-8-7-16(13-24)20(12-18)30-2/h4-8,11-12,19H,3,9,14H2,1-2H3,(H,25,29)(H2,26,27,28)/t19-/m1/s1