tert-butyl (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylate

Systemtic Name: tert-butyl (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylate Openeye Name: tert-butyl (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylate CAS Name: (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylate Traditional Name: (3aR,7aS)-2-methoxy-3a,4,5,7a-tetrahydro-2H-1,3-benzoxazole-3-carboxylic acid tert-butyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC=CC2OC1OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CCC=C[C@@H]2OC1OC

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-11(15)14-9-7-5-6-8-10(9)17-12(14)16-4/h6,8-10,12H,5,7H2,1-4H3/t9-,10+,12?/m1/s1