(phenylmethyl) (4S)-2-[(1S,2R,3S,4R)-2-[[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate

Systemtic Name: (phenylmethyl) (4S)-2-[(1S,2R,3S,4R)-2-[[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: benzyl (4S)-2-[(1S,2R,3S,4R)-2-[[2-(2-ethoxy-2-oxo-ethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4,5-dihydrooxazole-4-carboxylate CAS Name: (4S)-2-[(1S,2R,3S,4R)-2-[[2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4,5-dihydrooxazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2-[(1S,2R,3S,4R)-2-[[2-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: (4S)-2-[(1S,2R,3S,4R)-2-[2-(2-ethoxy-2-keto-ethoxy)benzyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-2-oxazoline-4-carboxylic acid benzyl ester Formula: C28H31NO7 MolecularWeight: 493.54824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1CC2C3CCC(C2C4=NC(CO4)C(=O)OCC5=CC=CC=C5)O3

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2C4=N[C@@H](CO4)C(=O)OCC5=CC=CC=C5)O3

InChI

InChI=1S/C28H31NO7/c1-2-32-25(30)17-33-22-11-7-6-10-19(22)14-20-23-12-13-24(36-23)26(20)27-29-21(16-34-27)28(31)35-15-18-8-4-3-5-9-18/h3-11,20-21,23-24,26H,2,12-17H2,1H3/t20-,21-,23-,24+,26-/m0/s1