3-[[4-[1-[3-(3,4-dichlorophenyl)-5-[6,7,8-tris(fluoranyl)quinolin-3-yl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-[3-(3,4-dichlorophenyl)-5-[6,7,8-tris(fluoranyl)quinolin-3-yl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-[3-(3,4-dichlorophenyl)-5-(6,7,8-trifluoro-3-quinolyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[1-[3-(3,4-dichlorophenyl)-5-(6,7,8-trifluoro-3-quinolinyl)-1-pyrazolyl]ethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-[3-(3,4-dichlorophenyl)-5-(6,7,8-trifluoroquinolin-3-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-[3-(3,4-dichlorophenyl)-5-(6,7,8-trifluoro-3-quinolyl)pyrazol-1-yl]ethyl]benzoyl]amino]propionic acid Formula: C30H21Cl2F3N4O3 MolecularWeight: 613.41395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C4=CN=C5C(=C4)C=C(C(=C5F)F)F

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C4=CN=C5C(=C4)C=C(C(=C5F)F)F

InChI

InChI=1S/C30H21Cl2F3N4O3/c1-15(16-2-4-17(5-3-16)30(42)36-9-8-26(40)41)39-25(13-24(38-39)18-6-7-21(31)22(32)11-18)20-10-19-12-23(33)27(34)28(35)29(19)37-14-20/h2-7,10-15H,8-9H2,1H3,(H,36,42)(H,40,41)