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

Systemtic Name: 2-[1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]acetic acid CAS Name: 2-[1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-[[3-(trifluoromethyl)benzyl]amino]indol-3-yl]acetic acid Formula: C25H21F3N2O2 MolecularWeight: 438.44165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2NCC4=CC(=CC=C4)C(F)(F)F)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2NCC4=CC(=CC=C4)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C25H21F3N2O2/c26-25(27,28)19-10-6-9-18(13-19)15-29-24-21(14-23(31)32)20-11-4-5-12-22(20)30(24)16-17-7-2-1-3-8-17/h1-13,29H,14-16H2,(H,31,32)