[3-(2-azanylpropyl)-4-fluoranyl-phenyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [3-(2-azanylpropyl)-4-fluoranyl-phenyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [3-(2-aminopropyl)-4-fluoro-phenyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [3-(2-aminopropyl)-4-fluorophenyl] ester IUPAC Name: [3-(2-aminopropyl)-4-fluorophenyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [3-(2-aminopropyl)-4-fluoro-phenyl] ester Formula: C18H14F7NO2 MolecularWeight: 409.298082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC(=C1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)F)N

Isomeric SMILES

CC(CC1=C(C=CC(=C1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)F)N

InChI

InChI=1S/C18H14F7NO2/c1-9(26)4-10-7-14(2-3-15(10)19)28-16(27)11-5-12(17(20,21)22)8-13(6-11)18(23,24)25/h2-3,5-9H,4,26H2,1H3