ethyl 5-fluoranyl-1-(pyrimidin-4-ylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-1-(pyrimidin-4-ylmethyl)indole-2-carboxylate Openeye Name: ethyl 5-fluoro-1-(pyrimidin-4-ylmethyl)indole-2-carboxylate CAS Name: 5-fluoro-1-(4-pyrimidinylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-1-(pyrimidin-4-ylmethyl)indole-2-carboxylate Traditional Name: 5-fluoro-1-(4-pyrimidylmethyl)indole-2-carboxylic acid ethyl ester Formula: C16H14FN3O2 MolecularWeight: 299.299663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=NC=NC=C3)C=CC(=C2)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=NC=NC=C3)C=CC(=C2)F

InChI

InChI=1S/C16H14FN3O2/c1-2-22-16(21)15-8-11-7-12(17)3-4-14(11)20(15)9-13-5-6-18-10-19-13/h3-8,10H,2,9H2,1H3