2-(4-methoxyphenoxy)ethyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 3-bromanyladamantane-1-carboxylate Openeye Name: 2-(4-methoxyphenoxy)ethyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C20H25BrO4 MolecularWeight: 409.3141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)OCCOC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrO4/c1-23-16-2-4-17(5-3-16)24-6-7-25-18(22)19-9-14-8-15(10-19)12-20(21,11-14)13-19/h2-5,14-15H,6-13H2,1H3