O6-methyl O8-(phenylmethyl) (2R,7S,8R,8aR)-7-(3-chlorophenyl)-2,5,8a-trimethyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate

Systemtic Name: O6-methyl O8-(phenylmethyl) (2R,7S,8R,8aR)-7-(3-chlorophenyl)-2,5,8a-trimethyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate Openeye Name: O8-benzyl O6-methyl (2R,7S,8R,8aR)-7-(3-chlorophenyl)-2,5,8a-trimethyl-2,3,7,8-tetrahydrooxazolo[3,2-a]pyridine-6,8-dicarboxylate CAS Name: (2R,7S,8R,8aR)-7-(3-chlorophenyl)-2,5,8a-trimethyl-2,3,7,8-tetrahydrooxazolo[3,2-a]pyridine-6,8-dicarboxylic acid O6-methyl ester O8-(phenylmethyl) ester IUPAC Name: 8-O-benzyl 6-O-methyl (2R,7S,8R,8aR)-7-(3-chlorophenyl)-2,5,8a-trimethyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate Traditional Name: (2R,7S,8R,8aR)-7-(3-chlorophenyl)-2,5,8a-trimethyl-2,3,7,8-tetrahydrooxazolo[3,2-a]pyridine-6,8-dicarboxylic acid O8-benzyl ester O6-methyl ester Formula: C26H28ClNO5 MolecularWeight: 469.95722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN2C(=C(C(C(C2(O1)C)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OC)C

Isomeric SMILES

C[C@@H]1CN2C(=C([C@@H]([C@H]([C@]2(O1)C)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OC)C

InChI

InChI=1S/C26H28ClNO5/c1-16-14-28-17(2)21(24(29)31-4)22(19-11-8-12-20(27)13-19)23(26(28,3)33-16)25(30)32-15-18-9-6-5-7-10-18/h5-13,16,22-23H,14-15H2,1-4H3/t16-,22+,23+,26-/m1/s1