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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC=C1)OCCCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31FN2O3/c1-33-26-6-4-7-27(19-26)34-17-3-2-15-32-16-5-14-29(24-9-11-25(30)12-10-24)28-13-8-22(20-31)18-23(28)21-35-29/h4,6-13,18-19,32H,2-3,5,14-17,21H2,1H3