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

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(2,4-dimethylphenyl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-(2,4-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(2,4-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=C(C=C1)C)C)OC(=O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)C)C)OC(=O)C2=NC3=CC=CC=C3N=C2

InChI

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