3-[[6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-[(pyridin-2-ylamino)methyl]quinolin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-[(pyridin-2-ylamino)methyl]quinolin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6,8-difluoro-4-oxo-1-phenethyl-7-[(2-pyridylamino)methyl]quinoline-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[6,8-difluoro-4-oxo-1-phenethyl-7-[(2-pyridinylamino)methyl]-3-quinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6,8-difluoro-4-oxo-1-phenethyl-7-[(pyridin-2-ylamino)methyl]quinoline-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[6,8-difluoro-4-keto-1-phenethyl-7-[(2-pyridylamino)methyl]quinoline-3-carbonyl]amino]propionic acid Formula: C27H24F2N4O4 MolecularWeight: 506.500666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=CC(=C(C(=C32)F)CNC4=CC=CC=N4)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=CC(=C(C(=C32)F)CNC4=CC=CC=N4)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C27H24F2N4O4/c28-21-14-18-25(24(29)19(21)15-32-22-8-4-5-11-30-22)33(13-10-17-6-2-1-3-7-17)16-20(26(18)36)27(37)31-12-9-23(34)35/h1-8,11,14,16H,9-10,12-13,15H2,(H,30,32)(H,31,37)(H,34,35)