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

Systemtic Name: ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetate CAS Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetate Traditional Name: 2-[3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propyl-methyl-amino]acetic acid ethyl ester Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O3/c1-3-28-22(27)15-26(2)12-4-11-23(19-6-8-20(24)9-7-19)21-10-5-17(14-25)13-18(21)16-29-23/h5-10,13H,3-4,11-12,15-16H2,1-2H3