[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-14-4-5-15(2)18(12-14)23-20(25)16(3)28-21(26)17-6-7-19(22-13-17)24-8-10-27-11-9-24/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,25)