[(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-[4-(2-acetamidoethyl)phenyl]-1-methyl-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-[4-(2-acetamidoethyl)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)CCNC(=O)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)CCNC(=O)C

InChI

InChI=1S/C24H25N3O4/c1-16-12-15-26-27(16)22-10-8-21(9-11-22)24(30)31-17(2)23(29)20-6-4-19(5-7-20)13-14-25-18(3)28/h4-12,15,17H,13-14H2,1-3H3,(H,25,28)/t17-/m1/s1