[(S)-furan-2-yl(isoquinolin-1-yl)methyl] benzoate

Systemtic Name: [(S)-furan-2-yl(isoquinolin-1-yl)methyl] benzoate Openeye Name: [(S)-2-furyl(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(S)-2-furanyl(1-isoquinolinyl)methyl] ester IUPAC Name: [(S)-furan-2-yl(isoquinolin-1-yl)methyl] benzoate Traditional Name: benzoic acid [(S)-2-furyl(1-isoquinolyl)methyl] ester Formula: C21H15NO3 MolecularWeight: 329.3487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C2=CC=CO2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CO2)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H15NO3/c23-21(16-8-2-1-3-9-16)25-20(18-11-6-14-24-18)19-17-10-5-4-7-15(17)12-13-22-19/h1-14,20H/t20-/m1/s1