[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)CNC(=O)C)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)CNC(=O)C)N=C1C

InChI

InChI=1S/C22H21N3O4/c1-13-14(2)25-20-10-18(8-9-19(20)24-13)22(28)29-12-21(27)17-6-4-16(5-7-17)11-23-15(3)26/h4-10H,11-12H2,1-3H3,(H,23,26)