[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C25H24Cl2O3 MolecularWeight: 443.36226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2O3/c26-19-6-7-20(21(27)9-19)22(28)14-30-23(29)25-12-16-8-17(13-25)11-24(10-16,15-25)18-4-2-1-3-5-18/h1-7,9,16-17H,8,10-15H2