[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C25H25BrO3 MolecularWeight: 453.3682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25BrO3/c26-25-13-17-10-18(14-25)12-24(11-17,16-25)23(28)29-15-22(27)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-9,17-18H,10-16H2