4-(isoquinolin-5-yloxymethyl)benzoic acid

Systemtic Name: 4-(isoquinolin-5-yloxymethyl)benzoic acid Openeye Name: 4-(5-isoquinolyloxymethyl)benzoic acid CAS Name: 4-(5-isoquinolinyloxymethyl)benzoic acid IUPAC Name: 4-(isoquinolin-5-yloxymethyl)benzoic acid Traditional Name: 4-(5-isoquinolyloxymethyl)benzoic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13NO3/c19-17(20)13-6-4-12(5-7-13)11-21-16-3-1-2-14-10-18-9-8-15(14)16/h1-10H,11H2,(H,19,20)