[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-2-18(20(26)23-14-15-6-4-3-5-7-15)28-21(27)16-8-10-17(11-9-16)24-19(25)12-13-22/h3-11,18H,2,12,14H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1