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

Systemtic Name: [2-cyclohexyl-3-[2-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-yl] benzoate Openeye Name: [2-cyclohexyl-3-[2-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-6-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [2-cyclohexyl-3-[2-(2-piperidinoethoxy)phenoxy]benzothiophen-6-yl] ester Formula: C34H37NO4S MolecularWeight: 555.72688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)C4=CC=CC=C4)OC5=CC=CC=C5OCCN6CCCCC6

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)C4=CC=CC=C4)OC5=CC=CC=C5OCCN6CCCCC6

InChI

InChI=1S/C34H37NO4S/c36-34(26-14-6-2-7-15-26)38-27-18-19-28-31(24-27)40-33(25-12-4-1-5-13-25)32(28)39-30-17-9-8-16-29(30)37-23-22-35-20-10-3-11-21-35/h2,6-9,14-19,24-25H,1,3-5,10-13,20-23H2