(2-methoxyphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-methoxyphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-methoxyphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-methoxyphenyl) ester Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H21BrO3/c1-21-14-4-2-3-5-15(14)22-16(20)17-7-12-6-13(8-17)10-18(19,9-12)11-17/h2-5,12-13H,6-11H2,1H3/t12-,13+,17?,18?