1-[[4-[[2-(4-ethoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]methyl]-2-methoxy-phenyl]methyl]pyrrolidine

Systemtic Name: 1-[[4-[[2-(4-ethoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]methyl]-2-methoxy-phenyl]methyl]pyrrolidine Openeye Name: 1-[[4-[[6-benzyloxy-2-(4-ethoxyphenyl)benzothiophen-3-yl]methyl]-2-methoxy-phenyl]methyl]pyrrolidine CAS Name: 1-[[4-[[2-(4-ethoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]methyl]-2-methoxyphenyl]methyl]pyrrolidine IUPAC Name: 1-[[4-[[2-(4-ethoxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]methyl]-2-methoxyphenyl]methyl]pyrrolidine Traditional Name: 1-[4-[(6-benzoxy-2-p-phenetyl-benzothiophen-3-yl)methyl]-2-methoxy-benzyl]pyrrolidine Formula: C36H37NO3S MolecularWeight: 563.74888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)CC5=CC(=C(C=C5)CN6CCCC6)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)CC5=CC(=C(C=C5)CN6CCCC6)OC

InChI

InChI=1S/C36H37NO3S/c1-3-39-30-15-13-28(14-16-30)36-33(21-27-11-12-29(34(22-27)38-2)24-37-19-7-8-20-37)32-18-17-31(23-35(32)41-36)40-25-26-9-5-4-6-10-26/h4-6,9-18,22-23H,3,7-8,19-21,24-25H2,1-2H3