2-[2-methyl-1-(phenylmethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-(phenylmethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]indolin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(phenylmethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-indol-3-yl]acetic acid IUPAC Name: 2-[1-benzyl-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-2H-indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-methyl-3-[[3-(trifluoromethyl)benzyl]amino]indolin-3-yl]acetic acid Formula: C26H25F3N2O2 MolecularWeight: 454.48411

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2N1CC3=CC=CC=C3)(CC(=O)O)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1C(C2=CC=CC=C2N1CC3=CC=CC=C3)(CC(=O)O)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H25F3N2O2/c1-18-25(15-24(32)33,30-16-20-10-7-11-21(14-20)26(27,28)29)22-12-5-6-13-23(22)31(18)17-19-8-3-2-4-9-19/h2-14,18,30H,15-17H2,1H3,(H,32,33)