[(2R)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2R)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1R)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2R)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2R)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1R)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C

InChI

InChI=1S/C24H25N3O4/c1-5-6-22(28)27-19-10-7-17(8-11-19)23(29)16(4)31-24(30)18-9-12-20-21(13-18)26-15(3)14(2)25-20/h7-13,16H,5-6H2,1-4H3,(H,27,28)/t16-/m1/s1