[(1R)-1-(4-fluorophenyl)ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(1R)-1-(4-fluorophenyl)ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-1-(4-fluorophenyl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [(1R)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-fluorophenyl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [(1R)-1-(4-fluorophenyl)ethyl] ester Formula: C19H22BrFO2 MolecularWeight: 381.279183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFO2/c1-12(15-2-4-16(21)5-3-15)23-17(22)18-7-13-6-14(8-18)10-19(20,9-13)11-18/h2-5,12-14H,6-11H2,1H3/t12-,13-,14+,18?,19?/m1/s1