[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] quinoxaline-6-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C22H21N3O4/c1-3-4-20(26)25-17-8-5-15(6-9-17)21(27)14(2)29-22(28)16-7-10-18-19(13-16)24-12-11-23-18/h5-14H,3-4H2,1-2H3,(H,25,26)