(phenylmethyl) 5-methyl-1-[(2S,3R)-3-oxidanylbutan-2-yl]-3-oxidanylidene-2-phenyl-pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-1-[(2S,3R)-3-oxidanylbutan-2-yl]-3-oxidanylidene-2-phenyl-pyrazole-4-carboxylate Openeye Name: benzyl 1-[(1S,2R)-2-hydroxy-1-methyl-propyl]-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxylate CAS Name: 1-[(2S,3R)-3-hydroxybutan-2-yl]-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(2S,3R)-3-hydroxybutan-2-yl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylate Traditional Name: 1-[(1S,2R)-2-hydroxy-1-methyl-propyl]-3-keto-5-methyl-2-phenyl-3-pyrazoline-4-carboxylic acid benzyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(C)C(C)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1[C@@H](C)[C@@H](C)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15(17(3)25)23-16(2)20(21(26)24(23)19-12-8-5-9-13-19)22(27)28-14-18-10-6-4-7-11-18/h4-13,15,17,25H,14H2,1-3H3/t15-,17+/m0/s1