[(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1R)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2R)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1R)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-12(28-19(26)14-7-10-16(22)17(23)11-14)18(25)13-5-8-15(9-6-13)24-20(27)21(2,3)4/h5-12H,23H2,1-4H3,(H,24,27)/t12-/m1/s1