2-[4-methyl-2-[5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzoxazol-3-yl]phenoxy]pent-4-ynoic acid

Systemtic Name: 2-[4-methyl-2-[5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzoxazol-3-yl]phenoxy]pent-4-ynoic acid Openeye Name: 2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzoxazol-3-yl]phenoxy]pent-4-ynoic acid CAS Name: 2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-1,2-benzoxazol-3-yl]phenoxy]-4-pentynoic acid IUPAC Name: 2-[4-methyl-2-[5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-1,2-benzoxazol-3-yl]phenoxy]pent-4-ynoic acid Traditional Name: 2-[2-[5-[2,6-diketo-3-methyl-4-(trifluoromethyl)pyrimidin-1-yl]indoxazen-3-yl]-4-methyl-phenoxy]pent-4-ynoic acid Formula: C25H18F3N3O6 MolecularWeight: 513.42213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(CC#C)C(=O)O)C2=NOC3=C2C=C(C=C3)N4C(=O)C=C(N(C4=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC(CC#C)C(=O)O)C2=NOC3=C2C=C(C=C3)N4C(=O)C=C(N(C4=O)C)C(F)(F)F

InChI

InChI=1S/C25H18F3N3O6/c1-4-5-19(23(33)34)36-17-8-6-13(2)10-15(17)22-16-11-14(7-9-18(16)37-29-22)31-21(32)12-20(25(26,27)28)30(3)24(31)35/h1,6-12,19H,5H2,2-3H3,(H,33,34)