3-(isoquinolin-1-ylmethoxy)benzoic acid

Systemtic Name: 3-(isoquinolin-1-ylmethoxy)benzoic acid Openeye Name: 3-(1-isoquinolylmethoxy)benzoic acid CAS Name: 3-(1-isoquinolinylmethoxy)benzoic acid IUPAC Name: 3-(isoquinolin-1-ylmethoxy)benzoic acid Traditional Name: 3-(1-isoquinolylmethoxy)benzoic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2COC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2COC3=CC=CC(=C3)C(=O)O

InChI

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