methyl (3aR,7aS)-6-oxidanylidene-2-phenyl-4,5,7,7a-tetrahydro-1,3-benzoxazole-3a-carboxylate

Systemtic Name: methyl (3aR,7aS)-6-oxidanylidene-2-phenyl-4,5,7,7a-tetrahydro-1,3-benzoxazole-3a-carboxylate Openeye Name: methyl (3aR,7aS)-6-oxo-2-phenyl-4,5,7,7a-tetrahydro-1,3-benzoxazole-3a-carboxylate CAS Name: (3aR,7aS)-6-oxo-2-phenyl-4,5,7,7a-tetrahydro-1,3-benzoxazole-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aS)-6-oxo-2-phenyl-4,5,7,7a-tetrahydro-1,3-benzoxazole-3a-carboxylate Traditional Name: (3aR,7aS)-6-keto-2-phenyl-4,5,7,7a-tetrahydro-1,3-benzoxazole-3a-carboxylic acid methyl ester Formula: C15H15NO4 MolecularWeight: 273.2839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC(=O)CC1OC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@]12CCC(=O)C[C@@H]1OC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H15NO4/c1-19-14(18)15-8-7-11(17)9-12(15)20-13(16-15)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-,15+/m0/s1