[2-(3-bromophenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

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