(E)-3-(1-methylisoquinolin-7-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1-methylisoquinolin-7-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-methyl-7-isoquinolyl)prop-2-enoic acid CAS Name: (E)-3-(1-methyl-7-isoquinolinyl)-2-propenoic acid IUPAC Name: (E)-3-(1-methylisoquinolin-7-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-methyl-7-isoquinolyl)acrylic acid Formula: C13H11NO2 MolecularWeight: 213.23194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=C(C=C2)C=CC(=O)O

Isomeric SMILES

CC1=NC=CC2=C1C=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C13H11NO2/c1-9-12-8-10(3-5-13(15)16)2-4-11(12)6-7-14-9/h2-8H,1H3,(H,15,16)/b5-3+