2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxypropanoic acid

Systemtic Name: 2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxypropanoic acid Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]propanoic acid CAS Name: 2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]propanoic acid IUPAC Name: 2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxypropanoic acid Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]propionic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)CC=C

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)CC=C

InChI

InChI=1S/C15H15NO4/c1-3-8-16-9-7-11-12(14(16)17)5-4-6-13(11)20-10(2)15(18)19/h3-7,9-10H,1,8H2,2H3,(H,18,19)