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

Systemtic Name: [2-cyclohexyl-3-[2-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-yl] butanoate Openeye Name: [2-cyclohexyl-3-[2-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-6-yl] butanoate CAS Name: butanoic acid [2-cyclohexyl-3-[2-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-6-yl] ester IUPAC Name: [2-cyclohexyl-3-[2-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-yl] butanoate Traditional Name: butyric acid [2-cyclohexyl-3-[2-(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=CC=C4OCCN5CCCCC5

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)OC4=CC=CC=C4OCCN5CCCCC5

InChI

InChI=1S/C31H39NO4S/c1-2-11-29(33)35-24-16-17-25-28(22-24)37-31(23-12-5-3-6-13-23)30(25)36-27-15-8-7-14-26(27)34-21-20-32-18-9-4-10-19-32/h7-8,14-17,22-23H,2-6,9-13,18-21H2,1H3