[(2R)-1-methoxy-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-methoxy-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-methoxy-1-methyl-2-oxo-ethyl] 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [(2R)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-methoxy-1-oxopropan-2-yl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [(1R)-2-keto-2-methoxy-1-methyl-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)OC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-14(19(24)26-2)27-20(25)17-13-23(12-15-7-4-3-5-8-15)22-18(17)16-9-6-10-21-11-16/h3-11,13-14H,12H2,1-2H3/t14-/m1/s1