[2-(4-bromophenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H21BrO3 MolecularWeight: 377.27224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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