(3R)-1-[2-[5-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[2-[5-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[2-[5-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methoxy]indolin-1-yl]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[2-[5-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[2-[5-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[2-[5-[4-cyclobutyl-3-(trifluoromethyl)benzyl]oxyindolin-1-yl]-2-keto-ethyl]nipecotic acid Formula: C28H31F3N2O4 MolecularWeight: 516.55195

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)N(CC4)C(=O)CN5CCCC(C5)C(=O)O)C(F)(F)F

Isomeric SMILES

C1C[C@H](CN(C1)CC(=O)N2CCC3=C2C=CC(=C3)OCC4=CC(=C(C=C4)C5CCC5)C(F)(F)F)C(=O)O

InChI

InChI=1S/C28H31F3N2O4/c29-28(30,31)24-13-18(6-8-23(24)19-3-1-4-19)17-37-22-7-9-25-20(14-22)10-12-33(25)26(34)16-32-11-2-5-21(15-32)27(35)36/h6-9,13-14,19,21H,1-5,10-12,15-17H2,(H,35,36)/t21-/m1/s1