2-[2-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]amino]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]amino]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]amino]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]amino]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]amino]pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[methyl-[3-[7-propyl-3-(trifluoromethyl)indoxazen-6-yl]oxypropyl]amino]pyrimidin-5-yl]acetic acid Formula: C21H23F3N4O4 MolecularWeight: 452.42693

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1ON=C2C(F)(F)F)OCCCN(C)C3=NC=C(C=N3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1ON=C2C(F)(F)F)OCCCN(C)C3=NC=C(C=N3)CC(=O)O

InChI

InChI=1S/C21H23F3N4O4/c1-3-5-14-16(7-6-15-18(14)32-27-19(15)21(22,23)24)31-9-4-8-28(2)20-25-11-13(12-26-20)10-17(29)30/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,29,30)