(phenylmethyl) 5-methyl-1-[(2S)-2-oxidanylbutyl]-3-oxidanylidene-2-phenyl-pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-1-[(2S)-2-oxidanylbutyl]-3-oxidanylidene-2-phenyl-pyrazole-4-carboxylate Openeye Name: benzyl 1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxylate CAS Name: 1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxybutyl]-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:

CCC(CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C)O

Isomeric SMILES

CC[C@@H](CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C)O

InChI

InChI=1S/C22H24N2O4/c1-3-19(25)14-23-16(2)20(21(26)24(23)18-12-8-5-9-13-18)22(27)28-15-17-10-6-4-7-11-17/h4-13,19,25H,3,14-15H2,1-2H3/t19-/m0/s1