5-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-4-oxidanyl-cyclohexyl]ethynyl]thiophene-3-carbonitrile

Systemtic Name: 5-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-4-oxidanyl-cyclohexyl]ethynyl]thiophene-3-carbonitrile Openeye Name: 5-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexyl]ethynyl]thiophene-3-carbonitrile CAS Name: 5-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-hydroxycyclohexyl]ethynyl]-3-thiophenecarbonitrile IUPAC Name: 5-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-hydroxycyclohexyl]ethynyl]thiophene-3-carbonitrile Traditional Name: 5-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-hydroxy-cyclohexyl]ethynyl]thiophene-3-carbonitrile Formula: C25H27NO3S MolecularWeight: 421.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#CC3=CC(=CS3)C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#CC3=CC(=CS3)C#N)OC4CCCC4

InChI

InChI=1S/C25H27NO3S/c1-28-23-7-6-19(15-24(23)29-21-4-2-3-5-21)25(11-8-20(27)9-12-25)13-10-22-14-18(16-26)17-30-22/h6-7,14-15,17,20-21,27H,2-5,8-9,11-12H2,1H3