methyl 3-cyano-5-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 3-cyano-5-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(2R,4S,5R)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-3-cyano-1H-pyrazole-4-carboxylate CAS Name: 3-cyano-5-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-oxolanyl]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-5-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(2R,4S,5R)-4-benzoxy-5-(benzoxymethyl)tetrahydrofuran-2-yl]-3-cyano-1H-pyrazole-4-carboxylic acid methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1C#N)C2CC(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(NN=C1C#N)[C@H]2C[C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5/c1-30-25(29)23-19(13-26)27-28-24(23)21-12-20(32-15-18-10-6-3-7-11-18)22(33-21)16-31-14-17-8-4-2-5-9-17/h2-11,20-22H,12,14-16H2,1H3,(H,27,28)/t20-,21+,22+/m0/s1