3-(isoquinolin-4-ylmethoxy)benzoic acid

Systemtic Name: 3-(isoquinolin-4-ylmethoxy)benzoic acid Openeye Name: 3-(4-isoquinolylmethoxy)benzoic acid CAS Name: 3-(4-isoquinolinylmethoxy)benzoic acid IUPAC Name: 3-(isoquinolin-4-ylmethoxy)benzoic acid Traditional Name: 3-(4-isoquinolylmethoxy)benzoic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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