1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenoxy)butylamino]propyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenoxy)butylamino]propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenoxy)butylamino]propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenoxy)butylamino]propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenoxy)butylamino]propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenoxy)butylamino]propyl]phthalan-5-carbonitrile Formula: C29H31FN2O3 MolecularWeight: 474.566443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1OCCCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31FN2O3/c1-33-27-7-2-3-8-28(27)34-18-5-4-16-32-17-6-15-29(24-10-12-25(30)13-11-24)26-14-9-22(20-31)19-23(26)21-35-29/h2-3,7-14,19,32H,4-6,15-18,21H2,1H3