3-[(4-isoquinolin-5-ylphenoxy)methyl]benzoic acid

Systemtic Name: 3-[(4-isoquinolin-5-ylphenoxy)methyl]benzoic acid Openeye Name: 3-[[4-(5-isoquinolyl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-(5-isoquinolinyl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[(4-isoquinolin-5-ylphenoxy)methyl]benzoic acid Traditional Name: 3-[[4-(5-isoquinolyl)phenoxy]methyl]benzoic acid Formula: C23H17NO3 MolecularWeight: 355.38598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C3=CC=CC4=C3C=CN=C4)C(=O)O

InChI

InChI=1S/C23H17NO3/c25-23(26)18-4-1-3-16(13-18)15-27-20-9-7-17(8-10-20)21-6-2-5-19-14-24-12-11-22(19)21/h1-14H,15H2,(H,25,26)