4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol

Systemtic Name: 4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol Openeye Name: 4-[6-ethynyl-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophen-2-yl]phenol CAS Name: 4-[6-ethynyl-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol Traditional Name: 4-[6-ethynyl-3-[4-(3-piperidinopropoxy)benzyl]benzothiophen-2-yl]phenol Formula: C31H31NO2S MolecularWeight: 481.64834

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCCN5CCCCC5

Isomeric SMILES

C#CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCCN5CCCCC5

InChI

InChI=1S/C31H31NO2S/c1-2-23-9-16-28-29(31(35-30(28)22-23)25-10-12-26(33)13-11-25)21-24-7-14-27(15-8-24)34-20-6-19-32-17-4-3-5-18-32/h1,7-16,22,33H,3-6,17-21H2