O3-tert-butyl O2-(phenylmethyl) (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylate

Systemtic Name: O3-tert-butyl O2-(phenylmethyl) (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylate Openeye Name: O2-benzyl O3-tert-butyl (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylate CAS Name: (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylic acid O3-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-tert-butyl (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylate Traditional Name: (4R,5S)-4-phenyl-2-pyrazoline-1,5-dicarboxylic acid O1-benzyl ester O5-tert-butyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(C=NN1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@H](C=NN1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-22(2,3)28-20(25)19-18(17-12-8-5-9-13-17)14-23-24(19)21(26)27-15-16-10-6-4-7-11-16/h4-14,18-19H,15H2,1-3H3/t18-,19+/m1/s1