(4-tert-butyl-2-methyl-phenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H29BrO2 MolecularWeight: 405.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H29BrO2/c1-14-7-17(20(2,3)4)5-6-18(14)25-19(24)21-9-15-8-16(10-21)12-22(23,11-15)13-21/h5-7,15-16H,8-13H2,1-4H3/t15-,16+,21?,22?