O5-ethyl O3-methyl (3S,4R)-2,4-diphenyl-3,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl (3S,4R)-2,4-diphenyl-3,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl (3S,4R)-2,4-diphenyl-3,4-dihydropyrazole-3,5-dicarboxylate CAS Name: (3S,4R)-2,4-diphenyl-3,4-dihydropyrazole-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl (3S,4R)-2,4-diphenyl-3,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: (4R,5S)-1,4-diphenyl-2-pyrazoline-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN([C@@H]([C@H]1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-3-26-19(23)17-16(14-10-6-4-7-11-14)18(20(24)25-2)22(21-17)15-12-8-5-9-13-15/h4-13,16,18H,3H2,1-2H3/t16-,18-/m0/s1