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

Systemtic Name: O3-tert-butyl O2-(phenylmethyl) (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylate Openeye Name: O2-benzyl O3-tert-butyl (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylate CAS Name: (3S,4R)-4-methyl-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-methyl-3,4-dihydropyrazole-2,3-dicarboxylate Traditional Name: (4R,5S)-4-methyl-2-pyrazoline-1,5-dicarboxylic acid O1-benzyl ester O5-tert-butyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NN(C1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-12-10-18-19(14(12)15(20)23-17(2,3)4)16(21)22-11-13-8-6-5-7-9-13/h5-10,12,14H,11H2,1-4H3/t12-,14-/m0/s1