tert-butyl 2-(5-fluoranylpyridin-2-yl)-5-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(5-fluoranylpyridin-2-yl)-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-(5-fluoro-2-pyridyl)indole-1-carboxylate CAS Name: 2-(5-fluoro-2-pyridinyl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-fluoropyridin-2-yl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 5-benzoxy-2-(5-fluoro-2-pyridyl)indole-1-carboxylic acid tert-butyl ester Formula: C25H23FN2O3 MolecularWeight: 418.460123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=NC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=NC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3/c1-25(2,3)31-24(29)28-22-12-10-20(30-16-17-7-5-4-6-8-17)13-18(22)14-23(28)21-11-9-19(26)15-27-21/h4-15H,16H2,1-3H3