ethyl 3,3,3-tris(fluoranyl)-2-[(5-methylpyridin-2-yl)carbamoylamino]-2-phenoxy-propanoate

Systemtic Name: ethyl 3,3,3-tris(fluoranyl)-2-[(5-methylpyridin-2-yl)carbamoylamino]-2-phenoxy-propanoate Openeye Name: ethyl 3,3,3-trifluoro-2-[(5-methyl-2-pyridyl)carbamoylamino]-2-phenoxy-propanoate CAS Name: 3,3,3-trifluoro-2-[[[(5-methyl-2-pyridinyl)amino]-oxomethyl]amino]-2-phenoxypropanoic acid ethyl ester IUPAC Name: ethyl 3,3,3-trifluoro-2-[(5-methylpyridin-2-yl)carbamoylamino]-2-phenoxypropanoate Traditional Name: 3,3,3-trifluoro-2-[(5-methyl-2-pyridyl)carbamoylamino]-2-phenoxy-propionic acid ethyl ester Formula: C18H18F3N3O4 MolecularWeight: 397.34843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=C(C=C1)C)OC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=C(C=C1)C)OC2=CC=CC=C2

InChI

InChI=1S/C18H18F3N3O4/c1-3-27-15(25)17(18(19,20)21,28-13-7-5-4-6-8-13)24-16(26)23-14-10-9-12(2)11-22-14/h4-11H,3H2,1-2H3,(H2,22,23,24,26)