tert-butyl (3aR,7R,7aR)-7-acetyloxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate

Systemtic Name: tert-butyl (3aR,7R,7aR)-7-acetyloxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate Openeye Name: tert-butyl (3aR,7R,7aR)-7-acetoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate CAS Name: (3aR,7R,7aR)-7-acetyloxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,7R,7aR)-7-acetyloxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate Traditional Name: (3aR,7R,7aR)-7-acetoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylic acid tert-butyl ester Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CCC2C1OC(N2C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1C=CC[C@@H]2[C@H]1OC(N2C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C16H25NO5/c1-10(18)20-12-9-7-8-11-13(12)21-16(5,6)17(11)14(19)22-15(2,3)4/h7,9,11-13H,8H2,1-6H3/t11-,12-,13-/m1/s1