2-(2-methylphenoxy)ethyl 3-bromanyladamantane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

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