2-[1-(3-bromophenyl)isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(3-bromophenyl)isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-(3-bromophenyl)-5-isoquinolyl]acetic acid CAS Name: 2-[1-(3-bromophenyl)-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(3-bromophenyl)isoquinolin-5-yl]acetic acid Traditional Name: 2-[1-(3-bromophenyl)-5-isoquinolyl]acetic acid Formula: C17H12BrNO2 MolecularWeight: 342.18668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC=CC3=C2C=CC=C3CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC=CC3=C2C=CC=C3CC(=O)O

InChI

InChI=1S/C17H12BrNO2/c18-13-5-1-4-12(9-13)17-15-6-2-3-11(10-16(20)21)14(15)7-8-19-17/h1-9H,10H2,(H,20,21)