2-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: 2-[4-(1-isoquinolylmethyl)phenyl]prop-2-enoic acid CAS Name: 2-[4-(1-isoquinolinylmethyl)phenyl]-2-propenoic acid IUPAC Name: 2-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: 2-[4-(1-isoquinolylmethyl)phenyl]acrylic acid Formula: C19H15NO2 MolecularWeight: 289.3279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C=C(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H15NO2/c1-13(19(21)22)15-8-6-14(7-9-15)12-18-17-5-3-2-4-16(17)10-11-20-18/h2-11H,1,12H2,(H,21,22)