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

Systemtic Name: O3-ethyl O2-(phenylmethyl) (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylate Openeye Name: O2-benzyl O3-ethyl (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylate CAS Name: (3S,4R)-4-phenyl-3,4-dihydropyrazole-2,3-dicarboxylic acid O3-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-ethyl (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-ethyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-2-25-19(23)18-17(16-11-7-4-8-12-16)13-21-22(18)20(24)26-14-15-9-5-3-6-10-15/h3-13,17-18H,2,14H2,1H3/t17-,18+/m1/s1