4-[[7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]-5-keto-valeric acid Formula: C30H40FN5O7 MolecularWeight: 601.666303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C30H40FN5O7/c1-3-34-18-21(27(39)20-16-22(31)24(17-25(20)34)32-19-8-6-5-7-9-19)28(40)33-23(10-11-26(37)38)29(41)35-12-14-36(15-13-35)30(42)43-4-2/h16-19,23,32H,3-15H2,1-2H3,(H,33,40)(H,37,38)