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

Systemtic Name: [4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methyl-phenyl] hexanoate Openeye Name: [4-[6-ethynyl-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophen-2-yl]-3-methyl-phenyl] hexanoate CAS Name: hexanoic acid [4-[6-ethynyl-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-2-yl]-3-methylphenyl] ester IUPAC Name: [4-[6-ethynyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methylphenyl] hexanoate Traditional Name: hexanoic acid [4-[6-ethynyl-3-[4-(3-piperidinopropoxy)benzyl]benzothiophen-2-yl]-3-methyl-phenyl] ester Formula: C38H43NO3S MolecularWeight: 593.81792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)CC4=CC=C(C=C4)OCCCN5CCCCC5)C

Isomeric SMILES

CCCCCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)CC4=CC=C(C=C4)OCCCN5CCCCC5)C

InChI

InChI=1S/C38H43NO3S/c1-4-6-8-12-37(40)42-32-18-20-33(28(3)25-32)38-35(34-19-15-29(5-2)27-36(34)43-38)26-30-13-16-31(17-14-30)41-24-11-23-39-21-9-7-10-22-39/h2,13-20,25,27H,4,6-12,21-24,26H2,1,3H3