2-(4-chloranylphenoxy)ethyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: 2-(4-chloranylphenoxy)ethyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: 2-(4-chlorophenoxy)ethyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid 2-(4-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=C(C=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H22BrClO3/c20-19-10-13-7-14(11-19)9-18(8-13,12-19)17(22)24-6-5-23-16-3-1-15(21)2-4-16/h1-4,13-14H,5-12H2/t13-,14+,18?,19?