ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylamino]ethanoate

Systemtic Name: ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylamino]ethanoate Openeye Name: ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propylamino]acetate CAS Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylamino]acetate Traditional Name: 2-[3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propylamino]acetic acid ethyl ester Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O3/c1-2-27-21(26)14-25-11-3-10-22(18-5-7-19(23)8-6-18)20-9-4-16(13-24)12-17(20)15-28-22/h4-9,12,25H,2-3,10-11,14-15H2,1H3