(2-phenyl-1,3-oxazol-4-yl)methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (2-phenyloxazol-4-yl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (2-phenyloxazol-4-yl)methyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=COC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=COC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H22ClNO3/c22-21-9-14-6-15(10-21)8-20(7-14,13-21)19(24)26-12-17-11-25-18(23-17)16-4-2-1-3-5-16/h1-5,11,14-15H,6-10,12-13H2