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

Systemtic Name: 2-(3-chloranylphenoxy)ethyl 3-bromanyladamantane-1-carboxylate Openeye Name: 2-(3-chlorophenoxy)ethyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid 2-(3-chlorophenoxy)ethyl ester IUPAC Name: 2-(3-chlorophenoxy)ethyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid 2-(3-chlorophenoxy)ethyl ester Formula: C19H22BrClO3 MolecularWeight: 413.73318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCCOC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCCOC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H22BrClO3/c20-19-10-13-6-14(11-19)9-18(8-13,12-19)17(22)24-5-4-23-16-3-1-2-15(21)7-16/h1-3,7,13-14H,4-6,8-12H2