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

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CN=C(C=C2)N3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CN=C(C=C2)N3CCOCC3)C)C

InChI

InChI=1S/C22H26N2O4/c1-14-11-16(3)19(12-15(14)2)21(25)17(4)28-22(26)18-5-6-20(23-13-18)24-7-9-27-10-8-24/h5-6,11-13,17H,7-10H2,1-4H3