ethyl (3aR,7aR)-5,6-dimethyl-3-phenyl-4,7-dihydro-3aH-1,2-benzoxazole-7a-carboxylate

Systemtic Name: ethyl (3aR,7aR)-5,6-dimethyl-3-phenyl-4,7-dihydro-3aH-1,2-benzoxazole-7a-carboxylate Openeye Name: ethyl (3aR,7aR)-5,6-dimethyl-3-phenyl-4,7-dihydro-3aH-1,2-benzoxazole-7a-carboxylate CAS Name: (3aR,7aR)-5,6-dimethyl-3-phenyl-4,7-dihydro-3aH-1,2-benzoxazole-7a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aR)-5,6-dimethyl-3-phenyl-4,7-dihydro-3aH-1,2-benzoxazole-7a-carboxylate Traditional Name: (3aR,7aR)-5,6-dimethyl-3-phenyl-4,7-dihydro-3aH-indoxazene-7a-carboxylic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(=C(CC1C(=NO2)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)[C@@]12CC(=C(C[C@@H]1C(=NO2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C18H21NO3/c1-4-21-17(20)18-11-13(3)12(2)10-15(18)16(19-22-18)14-8-6-5-7-9-14/h5-9,15H,4,10-11H2,1-3H3/t15-,18-/m1/s1