2-[2-(4-methyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-4-(trifluoromethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(4-methyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-4-(trifluoromethyl)phenoxy]ethanoic acid Openeye Name: 2-[2-(4-methyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-4-(trifluoromethyl)phenoxy]acetic acid CAS Name: 2-[2-[4-methyl-2-(1-pyrrolidinyl)-5-pyrimidinyl]-4-(trifluoromethyl)phenoxy]acetic acid IUPAC Name: 2-[2-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenoxy]acetic acid Traditional Name: 2-[2-(4-methyl-2-pyrrolidino-pyrimidin-5-yl)-4-(trifluoromethyl)phenoxy]acetic acid Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=C(C=CC(=C2)C(F)(F)F)OCC(=O)O)N3CCCC3

Isomeric SMILES

CC1=NC(=NC=C1C2=C(C=CC(=C2)C(F)(F)F)OCC(=O)O)N3CCCC3

InChI

InChI=1S/C18H18F3N3O3/c1-11-14(9-22-17(23-11)24-6-2-3-7-24)13-8-12(18(19,20)21)4-5-15(13)27-10-16(25)26/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,25,26)