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

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)butylamino]propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)butylamino]propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)butylamino]propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)butylamino]propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)butylamino]propyl]phthalan-5-carbonitrile Formula: C29H31FN2O2 MolecularWeight: 458.567043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1CCCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31FN2O2/c1-33-28-9-3-2-7-23(28)8-4-5-17-32-18-6-16-29(25-11-13-26(30)14-12-25)27-15-10-22(20-31)19-24(27)21-34-29/h2-3,7,9-15,19,32H,4-6,8,16-18,21H2,1H3