2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-quinolin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-quinolin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-3-quinolinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-ylquinoline-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-keto-quinoline-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H35FN4O4 MolecularWeight: 522.611003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CCC(CC)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C29H35FN4O4/c1-3-20(4-2)34-17-22(28(36)33-25(29(37)38)13-18-9-8-12-31-16-18)27(35)21-14-23(30)24(15-26(21)34)32-19-10-6-5-7-11-19/h8-9,12,14-17,19-20,25,32H,3-7,10-11,13H2,1-2H3,(H,33,36)(H,37,38)