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

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(2,5-dimethylphenyl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(2,5-dimethylphenyl)carbamoyl]propyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-4-18(20(25)24-17-12-13(2)8-9-14(17)3)27-21(26)15-6-5-7-16-19(15)23-11-10-22-16/h5-12,18H,4H2,1-3H3,(H,24,25)