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

Systemtic Name: 2-(3-methylphenoxy)ethyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid 2-(3-methylphenoxy)ethyl ester Formula: C20H25BrO3 MolecularWeight: 393.3147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrO3/c1-14-3-2-4-17(7-14)23-5-6-24-18(22)19-9-15-8-16(10-19)12-20(21,11-15)13-19/h2-4,7,15-16H,5-6,8-13H2,1H3/t15-,16+,19?,20?