3-[4-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-2-(isoquinolin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[4-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-2-(isoquinolin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[4-[(7-fluoro-2-quinolyl)methoxy]phenyl]-2-(isoquinoline-3-carbonylamino)propanoic acid CAS Name: 3-[4-[(7-fluoro-2-quinolinyl)methoxy]phenyl]-2-[[3-isoquinolinyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[4-[(7-fluoroquinolin-2-yl)methoxy]phenyl]-2-(isoquinoline-3-carbonylamino)propanoic acid Traditional Name: 3-[4-[(7-fluoro-2-quinolyl)methoxy]phenyl]-2-(isoquinoline-3-carbonylamino)propionic acid Formula: C29H22FN3O4 MolecularWeight: 495.501083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CC3=CC=C(C=C3)OCC4=NC5=C(C=CC(=C5)F)C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC(CC3=CC=C(C=C3)OCC4=NC5=C(C=CC(=C5)F)C=C4)C(=O)O

InChI

InChI=1S/C29H22FN3O4/c30-22-9-7-19-8-10-23(32-25(19)15-22)17-37-24-11-5-18(6-12-24)13-27(29(35)36)33-28(34)26-14-20-3-1-2-4-21(20)16-31-26/h1-12,14-16,27H,13,17H2,(H,33,34)(H,35,36)