ethyl (3R,3aR,6R)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylate

Systemtic Name: ethyl (3R,3aR,6R)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylate Openeye Name: ethyl (3R,3aR,6R)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylate CAS Name: (3R,3aR,6R)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,3aR,6R)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole-3-carboxylate Traditional Name: (3R,3aR,6R)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-anthranil-3-carboxylic acid ethyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CCC(CC2=NO1)C)C

Isomeric SMILES

CCOC(=O)[C@]1([C@@H]2CC[C@H](CC2=NO1)C)C

InChI

InChI=1S/C12H19NO3/c1-4-15-11(14)12(3)9-6-5-8(2)7-10(9)13-16-12/h8-9H,4-7H2,1-3H3/t8-,9-,12-/m1/s1