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

Systemtic Name: ethyl (4S,5R)-4-(4-methoxyphenyl)-3-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (4S,5R)-3-benzoyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: (4S,5R)-3-benzoyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-3-benzoyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (3R,4S)-5-benzoyl-4-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-3-26-20(24)18-16(13-9-11-15(25-2)12-10-13)17(21-22-18)19(23)14-7-5-4-6-8-14/h4-12,16,18,22H,3H2,1-2H3/t16-,18-/m1/s1