(E)-3-[1-[(phenylmethyl)amino]isoquinolin-6-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-[(phenylmethyl)amino]isoquinolin-6-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(benzylamino)-6-isoquinolyl]prop-2-enoic acid CAS Name: (E)-3-[1-[(phenylmethyl)amino]-6-isoquinolinyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(benzylamino)isoquinolin-6-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(benzylamino)-6-isoquinolyl]acrylic acid Formula: C19H16N2O2 MolecularWeight: 304.34254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=CC3=C2C=CC(=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=CC3=C2C=CC(=C3)/C=C/C(=O)O

InChI

InChI=1S/C19H16N2O2/c22-18(23)9-7-14-6-8-17-16(12-14)10-11-20-19(17)21-13-15-4-2-1-3-5-15/h1-12H,13H2,(H,20,21)(H,22,23)/b9-7+