3-[[4-[(1S)-1-[5-(6-ethoxynaphthalen-2-yl)-3-[2-fluoranyl-4-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(1S)-1-[5-(6-ethoxynaphthalen-2-yl)-3-[2-fluoranyl-4-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(1S)-1-[5-(6-ethoxy-2-naphthyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(1S)-1-[5-(6-ethoxy-2-naphthalenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1-pyrazolyl]ethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(1S)-1-[5-(6-ethoxynaphthalen-2-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(1S)-1-[5-(6-ethoxy-2-naphthyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propionic acid Formula: C34H29F4N3O4 MolecularWeight: 619.605373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=NN3C(C)C4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=C(C=C(C=C5)C(F)(F)F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=NN3[C@@H](C)C4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=C(C=C(C=C5)C(F)(F)F)F

InChI

InChI=1S/C34H29F4N3O4/c1-3-45-27-12-10-23-16-25(9-8-24(23)17-27)31-19-30(28-13-11-26(18-29(28)35)34(36,37)38)40-41(31)20(2)21-4-6-22(7-5-21)33(44)39-15-14-32(42)43/h4-13,16-20H,3,14-15H2,1-2H3,(H,39,44)(H,42,43)/t20-/m0/s1