3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]benzenecarbonitrile

Systemtic Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]benzenecarbonitrile Openeye Name: 3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-oxo-cyclohexyl]ethynyl]benzonitrile CAS Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]benzonitrile IUPAC Name: 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]benzonitrile Traditional Name: 3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-keto-cyclohexyl]ethynyl]benzonitrile Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)C#N)OC4CCCC4

InChI

InChI=1S/C27H27NO3/c1-30-25-12-11-22(17-26(25)31-24-9-2-3-10-24)27(14-5-8-23(29)18-27)15-13-20-6-4-7-21(16-20)19-28/h4,6-7,11-12,16-17,24H,2-3,5,8-10,14,18H2,1H3