3-[[4-[3-(5-chloranyl-1H-indol-2-yl)-3-oxidanylidene-2-[[3-(trifluoromethyloxy)phenyl]methyl]propyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-(5-chloranyl-1H-indol-2-yl)-3-oxidanylidene-2-[[3-(trifluoromethyloxy)phenyl]methyl]propyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-(5-chloro-1H-indol-2-yl)-3-oxo-2-[[3-(trifluoromethoxy)phenyl]methyl]propyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-(5-chloro-1H-indol-2-yl)-3-oxo-2-[[3-(trifluoromethoxy)phenyl]methyl]propyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-(5-chloro-1H-indol-2-yl)-3-oxo-2-[[3-(trifluoromethoxy)phenyl]methyl]propyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-(5-chloro-1H-indol-2-yl)-3-keto-2-[3-(trifluoromethoxy)benzyl]propyl]benzoyl]amino]propionic acid Formula: C29H24ClF3N2O5 MolecularWeight: 572.95947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)CC(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)CC(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C29H24ClF3N2O5/c30-22-8-9-24-20(15-22)16-25(35-24)27(38)21(13-18-2-1-3-23(14-18)40-29(31,32)33)12-17-4-6-19(7-5-17)28(39)34-11-10-26(36)37/h1-9,14-16,21,35H,10-13H2,(H,34,39)(H,36,37)