[(2S,3S,5R)-5-cyano-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2S,3S,5R)-5-cyano-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2S,3S,5R)-5-cyano-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S,3S,5R)-5-cyano-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-5-cyano-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S,3S,5R)-5-cyano-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)C#N)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@H](C[C@@H](O2)C#N)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO5/c1-14-3-7-16(8-4-14)21(24)26-13-20-19(11-18(12-23)27-20)28-22(25)17-9-5-15(2)6-10-17/h3-10,18-20H,11,13H2,1-2H3/t18-,19+,20+/m1/s1