4-[4-[3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanal

Systemtic Name: 4-[4-[3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanal Openeye Name: 4-[4-[3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenoxy]butanal CAS Name: 4-[4-[3-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanal IUPAC Name: 4-[4-[3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanal Traditional Name: 4-[4-[3-[4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenoxy]butyraldehyde Formula: C30H31NO2S MolecularWeight: 469.63764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCCC=O

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCCC=O

InChI

InChI=1S/C30H31NO2S/c32-19-5-6-20-33-26-15-13-25(14-16-26)30-28(27-7-1-2-8-29(27)34-30)21-23-9-11-24(12-10-23)22-31-17-3-4-18-31/h1-2,7-16,19H,3-6,17-18,20-22H2