2-[4-[4-[(1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonylamino]phenyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[(1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonylamino]phenyl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-[(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carbonyl)amino]phenyl]phenyl]acetic acid CAS Name: 2-[4-[4-[[[1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinyl]-oxomethyl]amino]phenyl]phenyl]acetic acid IUPAC Name: 2-[4-[4-[(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)amino]phenyl]phenyl]acetic acid Traditional Name: 2-[4-[4-[(1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carbonyl)amino]phenyl]phenyl]acetic acid Formula: C30H29FN4O4 MolecularWeight: 528.574063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)CC(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)CC(=O)O

InChI

InChI=1S/C30H29FN4O4/c1-2-34-18-24(29(38)23-16-25(31)27(17-26(23)34)35-13-11-32-12-14-35)30(39)33-22-9-7-21(8-10-22)20-5-3-19(4-6-20)15-28(36)37/h3-10,16-18,32H,2,11-15H2,1H3,(H,33,39)(H,36,37)