[isoquinolin-1-yl(phenyl)methyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] (E)-3-phenylprop-2-enoate Openeye Name: [1-isoquinolyl(phenyl)methyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C25H19NO2 MolecularWeight: 365.42386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO2/c27-23(16-15-19-9-3-1-4-10-19)28-25(21-12-5-2-6-13-21)24-22-14-8-7-11-20(22)17-18-26-24/h1-18,25H/b16-15+