[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C21H21N3O3/c1-15-13-14-22-24(15)18-11-9-17(10-12-18)21(26)27-19(20(25)23(2)3)16-7-5-4-6-8-16/h4-14,19H,1-3H3/t19-/m1/s1