[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H22N4O4/c1-14(20(27)24-17-8-10-18(11-9-17)25(2)3)29-21(28)15-4-6-16(7-5-15)23-19(26)12-13-22/h4-11,14H,12H2,1-3H3,(H,23,26)(H,24,27)/t14-/m1/s1