4-[4-[6-phenylmethoxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[6-phenylmethoxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[6-benzyloxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]butanenitrile CAS Name: 4-[4-[6-phenylmethoxy-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile IUPAC Name: 4-[4-[6-phenylmethoxy-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[6-benzoxy-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]butyronitrile Formula: C38H38N2O3S MolecularWeight: 602.78492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OCCCC#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OCCCC#N

InChI

InChI=1S/C38H38N2O3S/c39-20-4-7-24-41-33-16-12-31(13-17-33)38-36(26-29-10-14-32(15-11-29)42-25-23-40-21-5-6-22-40)35-19-18-34(27-37(35)44-38)43-28-30-8-2-1-3-9-30/h1-3,8-19,27H,4-7,21-26,28H2