ethyl 2-[[2-(4-fluorophenyl)-1-pyridin-2-yl-ethyl]amino]-1,3-benzoxazole-5-carboxylate

Systemtic Name: ethyl 2-[[2-(4-fluorophenyl)-1-pyridin-2-yl-ethyl]amino]-1,3-benzoxazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-fluorophenyl)-1-(2-pyridyl)ethyl]amino]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[[2-(4-fluorophenyl)-1-(2-pyridinyl)ethyl]amino]-1,3-benzoxazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]amino]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[[2-(4-fluorophenyl)-1-(2-pyridyl)ethyl]amino]-1,3-benzoxazole-5-carboxylic acid ethyl ester Formula: C23H20FN3O3 MolecularWeight: 405.421603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(=N2)NC(CC3=CC=C(C=C3)F)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(=N2)NC(CC3=CC=C(C=C3)F)C4=CC=CC=N4

InChI

InChI=1S/C23H20FN3O3/c1-2-29-22(28)16-8-11-21-20(14-16)27-23(30-21)26-19(18-5-3-4-12-25-18)13-15-6-9-17(24)10-7-15/h3-12,14,19H,2,13H2,1H3,(H,26,27)