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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H20BrClO2 MolecularWeight: 383.7072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClO2/c1-11-4-14(20)2-3-15(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?