(3-fluoranyl-4-methoxy-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H26FNO4 MolecularWeight: 375.433843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H26FNO4/c1-13(24)23-21-9-15-5-16(10-21)8-20(7-15,12-21)19(25)27-11-14-3-4-18(26-2)17(22)6-14/h3-4,6,15-16H,5,7-12H2,1-2H3,(H,23,24)/t15-,16+,20?,21?