1-[2-[4-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[[2-(4-methoxyphenyl)benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[[2-(4-methoxyphenyl)benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H29NO2S/c1-30-23-14-10-22(11-15-23)28-26(25-6-2-3-7-27(25)32-28)20-21-8-12-24(13-9-21)31-19-18-29-16-4-5-17-29/h2-3,6-15H,4-5,16-20H2,1H3