ethyl (3aR,4R,7aS)-3-ethanoyl-2,2-dimethyl-4-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate

Systemtic Name: ethyl (3aR,4R,7aS)-3-ethanoyl-2,2-dimethyl-4-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate Openeye Name: ethyl (3aR,4R,7aS)-3-acetyl-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate CAS Name: (3aR,4R,7aS)-3-acetyl-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,4R,7aS)-3-acetyl-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate Traditional Name: (3aR,4R,7aS)-3-acetyl-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylic acid ethyl ester Formula: C14H21NO5 MolecularWeight: 283.32024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2C(C(C1)O)N(C(O2)(C)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C[C@H]2[C@@H]([C@@H](C1)O)N(C(O2)(C)C)C(=O)C

InChI

InChI=1S/C14H21NO5/c1-5-19-13(18)9-6-10(17)12-11(7-9)20-14(3,4)15(12)8(2)16/h7,10-12,17H,5-6H2,1-4H3/t10-,11+,12-/m1/s1