[2-cyclohexyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-yl] butanoate

Systemtic Name: [2-cyclohexyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-yl] butanoate Openeye Name: [2-cyclohexyl-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-6-yl] butanoate CAS Name: butanoic acid [2-cyclohexyl-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-6-yl] ester IUPAC Name: [2-cyclohexyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-yl] butanoate Traditional Name: butyric acid [2-cyclohexyl-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophen-6-yl] ester Formula: C31H39NO4S MolecularWeight: 521.71066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)OC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)OC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C31H39NO4S/c1-2-9-29(33)35-26-16-17-27-28(22-26)37-31(23-10-5-3-6-11-23)30(27)36-25-14-12-24(13-15-25)34-21-20-32-18-7-4-8-19-32/h12-17,22-23H,2-11,18-21H2,1H3