(2-chloranyl-5-methyl-phenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-chloro-5-methyl-phenyl) ester Formula: C18H20BrClO2 MolecularWeight: 383.7072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClO2/c1-11-2-3-14(20)15(4-11)22-16(21)17-6-12-5-13(7-17)9-18(19,8-12)10-17/h2-4,12-13H,5-10H2,1H3/t12-,13+,17?,18?