phenacyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: phenacyl 3-bromanyladamantane-1-carboxylate Openeye Name: phenacyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid phenacyl ester Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO3/c20-19-9-13-6-14(10-19)8-18(7-13,12-19)17(22)23-11-16(21)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2