5-oxidanylidene-5-[(3-phenylisoquinolin-4-yl)methoxy]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[(3-phenylisoquinolin-4-yl)methoxy]pentanoic acid Openeye Name: 5-oxo-5-[(3-phenyl-4-isoquinolyl)methoxy]pentanoic acid CAS Name: 5-oxo-5-[(3-phenyl-4-isoquinolinyl)methoxy]pentanoic acid IUPAC Name: 5-oxo-5-[(3-phenylisoquinolin-4-yl)methoxy]pentanoic acid Traditional Name: 5-keto-5-[(3-phenyl-4-isoquinolyl)methoxy]valeric acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)CCCC(=O)O

InChI

InChI=1S/C21H19NO4/c23-19(24)11-6-12-20(25)26-14-18-17-10-5-4-9-16(17)13-22-21(18)15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,23,24)