tert-butyl 2-[6-fluoranyl-5-(4-methoxyphenyl)pyridin-3-yl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[6-fluoranyl-5-(4-methoxyphenyl)pyridin-3-yl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[6-fluoro-5-(4-methoxyphenyl)-3-pyridyl]pyrrole-1-carboxylate CAS Name: 2-[6-fluoro-5-(4-methoxyphenyl)-3-pyridinyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-fluoro-5-(4-methoxyphenyl)pyridin-3-yl]pyrrole-1-carboxylate Traditional Name: 2-[6-fluoro-5-(4-methoxyphenyl)-3-pyridyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=C(N=C2)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=C(N=C2)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21FN2O3/c1-21(2,3)27-20(25)24-11-5-6-18(24)15-12-17(19(22)23-13-15)14-7-9-16(26-4)10-8-14/h5-13H,1-4H3