methyl 2-[4-[1-[[4-chloranyl-3-[3,3,3-tris(fluoranyl)propanoylamino]pyridin-2-yl]amino]ethyl]phenyl]-6-methyl-benzoate

Systemtic Name: methyl 2-[4-[1-[[4-chloranyl-3-[3,3,3-tris(fluoranyl)propanoylamino]pyridin-2-yl]amino]ethyl]phenyl]-6-methyl-benzoate Openeye Name: methyl 2-[4-[1-[[4-chloro-3-(3,3,3-trifluoropropanoylamino)-2-pyridyl]amino]ethyl]phenyl]-6-methyl-benzoate CAS Name: 2-[4-[1-[[4-chloro-3-[(3,3,3-trifluoro-1-oxopropyl)amino]-2-pyridinyl]amino]ethyl]phenyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-[[4-chloro-3-(3,3,3-trifluoropropanoylamino)pyridin-2-yl]amino]ethyl]phenyl]-6-methylbenzoate Traditional Name: 2-[4-[1-[[4-chloro-3-(3,3,3-trifluoropropanoylamino)-2-pyridyl]amino]ethyl]phenyl]-6-methyl-benzoic acid methyl ester Formula: C25H23ClF3N3O3 MolecularWeight: 505.91663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)OC)C2=CC=C(C=C2)C(C)NC3=NC=CC(=C3NC(=O)CC(F)(F)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1C(=O)OC)C2=CC=C(C=C2)C(C)NC3=NC=CC(=C3NC(=O)CC(F)(F)F)Cl

InChI

InChI=1S/C25H23ClF3N3O3/c1-14-5-4-6-18(21(14)24(34)35-3)17-9-7-16(8-10-17)15(2)31-23-22(19(26)11-12-30-23)32-20(33)13-25(27,28)29/h4-12,15H,13H2,1-3H3,(H,30,31)(H,32,33)