2-[3-chloranyl-4-[(7-fluoranylisoquinolin-1-yl)carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[(7-fluoranylisoquinolin-1-yl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[(7-fluoroisoquinoline-1-carbonyl)amino]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[[(7-fluoro-1-isoquinolinyl)-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[(7-fluoroisoquinoline-1-carbonyl)amino]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[(7-fluoroisoquinoline-1-carbonyl)amino]phenyl]acetic acid Formula: C18H12ClFN2O3 MolecularWeight: 358.750883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2C(=O)NC3=C(C=C(C=C3)CC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2C(=O)NC3=C(C=C(C=C3)CC(=O)O)Cl)F

InChI

InChI=1S/C18H12ClFN2O3/c19-14-7-10(8-16(23)24)1-4-15(14)22-18(25)17-13-9-12(20)3-2-11(13)5-6-21-17/h1-7,9H,8H2,(H,22,25)(H,23,24)