2-[[4-[(2-azanyl-4-chloranyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-chloranyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-chloro-6-quinolyl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-chloro-6-quinolinyl)methyl-prop-2-ynylamino]-2-fluorophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-chloroquinolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-chloro-6-quinolyl)methyl-propargyl-amino]-2-fluoro-benzoyl]amino]glutaric acid Formula: C25H22ClFN4O5 MolecularWeight: 512.917383

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)N=C(C=C2Cl)N)C3=CC(=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)N=C(C=C2Cl)N)C3=CC(=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)F

InChI

InChI=1S/C25H22ClFN4O5/c1-2-9-31(13-14-3-6-20-17(10-14)18(26)12-22(28)29-20)15-4-5-16(19(27)11-15)24(34)30-21(25(35)36)7-8-23(32)33/h1,3-6,10-12,21H,7-9,13H2,(H2,28,29)(H,30,34)(H,32,33)(H,35,36)