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

Systemtic Name: (3-methylphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: m-tolyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid m-tolyl ester Formula: C18H21BrO2 MolecularWeight: 349.26214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO2/c1-12-3-2-4-15(5-12)21-16(20)17-7-13-6-14(8-17)10-18(19,9-13)11-17/h2-5,13-14H,6-11H2,1H3/t13-,14+,17?,18?