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

Systemtic Name: 3-[[4-[(1S)-1-[5-(6-chloranylnaphthalen-2-yl)-3-[2-ethoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(1S)-1-[5-(6-chloro-2-naphthyl)-3-[2-ethoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(1S)-1-[5-(6-chloro-2-naphthalenyl)-3-[2-ethoxy-5-(trifluoromethyl)phenyl]-1-pyrazolyl]ethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(1S)-1-[5-(6-chloronaphthalen-2-yl)-3-[2-ethoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(1S)-1-[5-(6-chloro-2-naphthyl)-3-[2-ethoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propionic acid Formula: C34H29ClF3N3O4 MolecularWeight: 636.05997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(F)(F)F)C2=NN(C(=C2)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(C)C5=CC=C(C=C5)C(=O)NCCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(F)(F)F)C2=NN(C(=C2)C3=CC4=C(C=C3)C=C(C=C4)Cl)[C@@H](C)C5=CC=C(C=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C34H29ClF3N3O4/c1-3-45-31-13-11-26(34(36,37)38)18-28(31)29-19-30(25-9-8-24-17-27(35)12-10-23(24)16-25)41(40-29)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