[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H22O5 MolecularWeight: 342.38568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22O5/c21-16(13-1-2-17-18(8-13)25-10-24-17)9-23-20(22)19-14-4-11-3-12(6-14)7-15(19)5-11/h1-2,8,11-12,14-15,19H,3-7,9-10H2