[1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(3,4-dimethylphenyl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(3,4-dimethylphenyl)carbamoyl]propyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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