[(2R)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [(1R)-1-methyl-2-morpholino-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [(2R)-1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [(1R)-2-keto-1-methyl-2-morpholino-ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCOCC3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)N3CCOCC3)C)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-12-17(20)13(2)23(21-12)16-6-4-15(5-7-16)19(25)27-14(3)18(24)22-8-10-26-11-9-22/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1