(4-ethanoylphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-ethanoylphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-acetylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-acetylphenyl) ester Formula: C19H21BrO3 MolecularWeight: 377.27224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO3/c1-12(21)15-2-4-16(5-3-15)23-17(22)18-7-13-6-14(8-18)10-19(20,9-13)11-18/h2-5,13-14H,6-11H2,1H3/t13-,14+,18?,19?