propan-2-yl 3-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C20H20ClF3N2O4 MolecularWeight: 444.83201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

InChI

InChI=1S/C20H20ClF3N2O4/c1-12(2)30-18(28)9-16(13-6-4-3-5-7-13)25-17(27)11-26-10-14(20(22,23)24)8-15(21)19(26)29/h3-8,10,12,16H,9,11H2,1-2H3,(H,25,27)