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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C

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/h4-12,16,18,22H,3H2,1-2H3/t16-,18-/m1/s1