[4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] ester IUPAC Name: [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]phenyl] ester Formula: C21H15ClF3NO3 MolecularWeight: 421.79691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H15ClF3NO3/c1-28-16-8-4-14(5-9-16)20(27)29-17-6-2-13(3-7-17)10-19-18(22)11-15(12-26-19)21(23,24)25/h2-9,11-12H,10H2,1H3