tert-butyl (3R,4S)-2-(4-bromophenyl)-3-(hydroxymethyl)-5-phenyl-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: tert-butyl (3R,4S)-2-(4-bromophenyl)-3-(hydroxymethyl)-5-phenyl-3,4-dihydropyrazole-4-carboxylate Openeye Name: tert-butyl (3R,4S)-2-(4-bromophenyl)-3-(hydroxymethyl)-5-phenyl-3,4-dihydropyrazole-4-carboxylate CAS Name: (3R,4S)-2-(4-bromophenyl)-3-(hydroxymethyl)-5-phenyl-3,4-dihydropyrazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S)-2-(4-bromophenyl)-3-(hydroxymethyl)-5-phenyl-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S,5R)-1-(4-bromophenyl)-5-methylol-3-phenyl-2-pyrazoline-4-carboxylic acid tert-butyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)Br)CO

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@@H](N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)Br)CO

InChI

InChI=1S/C21H23BrN2O3/c1-21(2,3)27-20(26)18-17(13-25)24(16-11-9-15(22)10-12-16)23-19(18)14-7-5-4-6-8-14/h4-12,17-18,25H,13H2,1-3H3/t17-,18-/m0/s1