ethyl (4S,5S)-4-(4-methylphenyl)-5-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(4-methylphenyl)-5-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl (4S,5S)-5-benzoyl-4-(p-tolyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: (4S,5S)-5-benzoyl-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-5-benzoyl-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: (4S,5S)-5-benzoyl-4-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN[C@@H]([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-3-25-20(24)18-16(14-11-9-13(2)10-12-14)17(21-22-18)19(23)15-7-5-4-6-8-15/h4-12,16-17,21H,3H2,1-2H3/t16-,17-/m0/s1