ethyl (3aR,4S,7aS)-2,2-dimethyl-4-oxidanyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate

Systemtic Name: ethyl (3aR,4S,7aS)-2,2-dimethyl-4-oxidanyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate Openeye Name: ethyl (3aR,4S,7aS)-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate CAS Name: (3aR,4S,7aS)-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,4S,7aS)-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate Traditional Name: (3aR,4S,7aS)-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylic acid ethyl ester Formula: C12H19NO4 MolecularWeight: 241.28356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2C(CC=CC2O)OC1(C)C

Isomeric SMILES

CCOC(=O)N1[C@H]2[C@H](CC=C[C@@H]2O)OC1(C)C

InChI

InChI=1S/C12H19NO4/c1-4-16-11(15)13-10-8(14)6-5-7-9(10)17-12(13,2)3/h5-6,8-10,14H,4,7H2,1-3H3/t8-,9-,10+/m0/s1