[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N3O4/c26-21(24-13-15-28-16-14-24)20(17-5-2-1-3-6-17)29-22(27)18-7-9-19(10-8-18)25-12-4-11-23-25/h1-12,20H,13-16H2/t20-/m1/s1