2-[5,6-dimethoxy-1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5,6-dimethoxy-1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-5,6-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]acetic acid CAS Name: 2-[5,6-dimethoxy-1-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-5,6-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-5,6-dimethoxy-2-[[3-(trifluoromethyl)benzyl]amino]indol-3-yl]acetic acid Formula: C27H25F3N2O4 MolecularWeight: 498.49361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC=CC=C3)NCC4=CC(=CC=C4)C(F)(F)F)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC=CC=C3)NCC4=CC(=CC=C4)C(F)(F)F)CC(=O)O)OC

InChI

InChI=1S/C27H25F3N2O4/c1-35-23-12-20-21(13-25(33)34)26(31-15-18-9-6-10-19(11-18)27(28,29)30)32(22(20)14-24(23)36-2)16-17-7-4-3-5-8-17/h3-12,14,31H,13,15-16H2,1-2H3,(H,33,34)