[1-[(2,4-dimethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-[(2,4-dimethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(2,4-dimethoxyphenyl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(2,4-dimethoxyphenyl)carbamoyl]propyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)OC(=O)C2=C3C(=CC=C2)N=CC=N3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)OC(=O)C2=C3C(=CC=C2)N=CC=N3

InChI

InChI=1S/C21H21N3O5/c1-4-17(20(25)24-15-9-8-13(27-2)12-18(15)28-3)29-21(26)14-6-5-7-16-19(14)23-11-10-22-16/h5-12,17H,4H2,1-3H3,(H,24,25)