4-isoquinolin-1-yl-2-methylidene-3-oxidanylidene-butanoic acid

Systemtic Name: 4-isoquinolin-1-yl-2-methylidene-3-oxidanylidene-butanoic acid Openeye Name: 4-(1-isoquinolyl)-2-methylene-3-oxo-butanoic acid CAS Name: 4-(1-isoquinolinyl)-2-methylene-3-oxobutanoic acid IUPAC Name: 4-isoquinolin-1-yl-2-methylidene-3-oxobutanoic acid Traditional Name: 2-[2-(1-isoquinolyl)acetyl]acrylic acid Formula: C14H11NO3 MolecularWeight: 241.24204

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)CC1=NC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C=C(C(=O)CC1=NC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H11NO3/c1-9(14(17)18)13(16)8-12-11-5-3-2-4-10(11)6-7-15-12/h2-7H,1,8H2,(H,17,18)