diethyl (4S)-5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate

Systemtic Name: diethyl (4S)-5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate Openeye Name: diethyl (4S)-5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate CAS Name: (4S)-5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate Traditional Name: (4S)-5,5-diphenyl-2-pyrazoline-3,4-dicarboxylic acid diethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O4/c1-3-26-19(24)17-18(20(25)27-4-2)22-23-21(17,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17,23H,3-4H2,1-2H3/t17-/m0/s1