2-(3-ethynyl-1-oxidanylidene-3-phenyl-4H-isoquinolin-2-yl)ethanoic acid

Systemtic Name: 2-(3-ethynyl-1-oxidanylidene-3-phenyl-4H-isoquinolin-2-yl)ethanoic acid Openeye Name: 2-(3-ethynyl-1-oxo-3-phenyl-4H-isoquinolin-2-yl)acetic acid CAS Name: 2-(3-ethynyl-1-oxo-3-phenyl-4H-isoquinolin-2-yl)acetic acid IUPAC Name: 2-(3-ethynyl-1-oxo-3-phenyl-4H-isoquinolin-2-yl)acetic acid Traditional Name: 2-(3-ethynyl-1-keto-3-phenyl-4H-isoquinolin-2-yl)acetic acid Formula: C19H15NO3 MolecularWeight: 305.3273

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CC2=CC=CC=C2C(=O)N1CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C#CC1(CC2=CC=CC=C2C(=O)N1CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H15NO3/c1-2-19(15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)18(23)20(19)13-17(21)22/h1,3-11H,12-13H2,(H,21,22)