(phenylmethyl) 2-(4-bromanylbutyl)-1,3-dihydroindene-2-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-bromanylbutyl)-1,3-dihydroindene-2-carboxylate Openeye Name: benzyl 2-(4-bromobutyl)indane-2-carboxylate CAS Name: 2-(4-bromobutyl)-1,3-dihydroindene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-bromobutyl)-1,3-dihydroindene-2-carboxylate Traditional Name: 2-(4-bromobutyl)indane-2-carboxylic acid benzyl ester Formula: C21H23BrO2 MolecularWeight: 387.31012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CC1(CCCCBr)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2CC1(CCCCBr)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrO2/c22-13-7-6-12-21(14-18-10-4-5-11-19(18)15-21)20(23)24-16-17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2