2-[4-(3-chloranylisoquinolin-1-yl)oxyphenoxy]ethanoic acid

Systemtic Name: 2-[4-(3-chloranylisoquinolin-1-yl)oxyphenoxy]ethanoic acid Openeye Name: 2-[4-[(3-chloro-1-isoquinolyl)oxy]phenoxy]acetic acid CAS Name: 2-[4-[(3-chloro-1-isoquinolinyl)oxy]phenoxy]acetic acid IUPAC Name: 2-[4-(3-chloroisoquinolin-1-yl)oxyphenoxy]acetic acid Traditional Name: 2-[4-[(3-chloro-1-isoquinolyl)oxy]phenoxy]acetic acid Formula: C17H12ClNO4 MolecularWeight: 329.73448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2OC3=CC=C(C=C3)OCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2OC3=CC=C(C=C3)OCC(=O)O)Cl

InChI

InChI=1S/C17H12ClNO4/c18-15-9-11-3-1-2-4-14(11)17(19-15)23-13-7-5-12(6-8-13)22-10-16(20)21/h1-9H,10H2,(H,20,21)