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

Systemtic Name: 3-[[4-[(1S)-1-[5-(6-chloranylnaphthalen-2-yl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(1S)-1-[5-(6-chloro-2-naphthyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(1S)-1-[5-(6-chloro-2-naphthalenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]-1-pyrazolyl]ethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(1S)-1-[5-(6-chloronaphthalen-2-yl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(1S)-1-[5-(6-chloro-2-naphthyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propionic acid Formula: C33H27ClF3N3O4 MolecularWeight: 622.03339

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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=C(C=CC(=C3)C(F)(F)F)OC)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)NCCC(=O)O)N2C(=CC(=N2)C3=C(C=CC(=C3)C(F)(F)F)OC)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C33H27ClF3N3O4/c1-19(20-3-5-21(6-4-20)32(43)38-14-13-31(41)42)40-29(24-8-7-23-16-26(34)11-9-22(23)15-24)18-28(39-40)27-17-25(33(35,36)37)10-12-30(27)44-2/h3-12,15-19H,13-14H2,1-2H3,(H,38,43)(H,41,42)/t19-/m0/s1