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

Systemtic Name: 2-[4-(3-chloranylisoquinolin-1-yl)oxyphenoxy]butanoic acid Openeye Name: 2-[4-[(3-chloro-1-isoquinolyl)oxy]phenoxy]butanoic acid CAS Name: 2-[4-[(3-chloro-1-isoquinolinyl)oxy]phenoxy]butanoic acid IUPAC Name: 2-[4-(3-chloroisoquinolin-1-yl)oxyphenoxy]butanoic acid Traditional Name: 2-[4-[(3-chloro-1-isoquinolyl)oxy]phenoxy]butyric acid Formula: C19H16ClNO4 MolecularWeight: 357.78764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)OC2=NC(=CC3=CC=CC=C32)Cl

Isomeric SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)OC2=NC(=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C19H16ClNO4/c1-2-16(19(22)23)24-13-7-9-14(10-8-13)25-18-15-6-4-3-5-12(15)11-17(20)21-18/h3-11,16H,2H2,1H3,(H,22,23)