[2-[[3-[3-(6-cyclopropylpyridin-3-yl)phenyl]-3-oxidanylidene-propanoyl]amino]-4-(trifluoromethyl)-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamic acid

Systemtic Name: [2-[[3-[3-(6-cyclopropylpyridin-3-yl)phenyl]-3-oxidanylidene-propanoyl]amino]-4-(trifluoromethyl)-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbamic acid Openeye Name: [2-[[3-[3-(6-cyclopropyl-3-pyridyl)phenyl]-3-oxo-propanoyl]amino]-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]carbamic acid CAS Name: [2-[[3-[3-(6-cyclopropyl-3-pyridinyl)phenyl]-1,3-dioxopropyl]amino]-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [2-[[3-[3-(6-cyclopropylpyridin-3-yl)phenyl]-3-oxopropanoyl]amino]-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [2-[[3-[3-(6-cyclopropyl-3-pyridyl)phenyl]-3-keto-propanoyl]amino]-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]carbamic acid Formula: C27H21F6N3O5 MolecularWeight: 581.463159

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC=C(C=C2)C3=CC(=CC=C3)C(=O)CC(=O)NC4=C(C=C(C(=C4)C(F)(F)F)OCC(F)(F)F)NC(=O)O

Isomeric SMILES

C1CC1C2=NC=C(C=C2)C3=CC(=CC=C3)C(=O)CC(=O)NC4=C(C=C(C(=C4)C(F)(F)F)OCC(F)(F)F)NC(=O)O

InChI

InChI=1S/C27H21F6N3O5/c28-26(29,30)13-41-23-10-21(36-25(39)40)20(9-18(23)27(31,32)33)35-24(38)11-22(37)16-3-1-2-15(8-16)17-6-7-19(34-12-17)14-4-5-14/h1-3,6-10,12,14,36H,4-5,11,13H2,(H,35,38)(H,39,40)