3-[[4-[1-[5-(6-methoxynaphthalen-2-yl)-3-[2,2,3,3-tetrakis(fluoranyl)-1,4-benzodioxin-6-yl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-[5-(6-methoxynaphthalen-2-yl)-3-[2,2,3,3-tetrakis(fluoranyl)-1,4-benzodioxin-6-yl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-[5-(6-methoxy-2-naphthyl)-3-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[1-[5-(6-methoxy-2-naphthalenyl)-3-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1-pyrazolyl]ethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-[5-(6-methoxynaphthalen-2-yl)-3-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-[5-(6-methoxy-2-naphthyl)-3-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propionic acid Formula: C34H27F4N3O6 MolecularWeight: 649.588293

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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=CC4=C(C=C3)OC(C(O4)(F)F)(F)F)C5=CC6=C(C=C5)C=C(C=C6)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=CC4=C(C=C3)OC(C(O4)(F)F)(F)F)C5=CC6=C(C=C5)C=C(C=C6)OC

InChI

InChI=1S/C34H27F4N3O6/c1-19(20-3-5-21(6-4-20)32(44)39-14-13-31(42)43)41-28(25-8-7-23-16-26(45-2)11-9-22(23)15-25)18-27(40-41)24-10-12-29-30(17-24)47-34(37,38)33(35,36)46-29/h3-12,15-19H,13-14H2,1-2H3,(H,39,44)(H,42,43)