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

Systemtic Name: (2-methylphenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: o-tolylmethyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-methylbenzyl) ester Formula: C19H23BrO2 MolecularWeight: 363.28872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H23BrO2/c1-13-4-2-3-5-16(13)11-22-17(21)18-7-14-6-15(8-18)10-19(20,9-14)12-18/h2-5,14-15H,6-12H2,1H3/t14-,15+,18?,19?